N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide (CED0183810)

Record Information

Version

1.0

Creation Date

2026-08-19 13:31:27 UTC

Update Date

2026-08-19 13:31:27 UTC

SynCED ID

CED0183810

Secondary Accession Numbers

CHEM186850

Identification

Common Name

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide

Class

Small Molecule

Description

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide is an organic compound with the formula C15H9F6N5OS and an average molecular weight of 421.30 g/mol. N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been identified in or released from two recorded sources, specifically electrical and electronic equipment consisting of conductors or conductive bodies characterized by the conductive materials, cores yokes or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₉F₆N₅OS

Average Molecular Mass

421.300 g/mol

Monoisotopic Mass

421.043 g/mol

CAS Registry Number

223499-30-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)

InChI Key

XPRZIORDEVHURQ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-9276500000-66e84f99e7c006c5f824	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000900000-51989b8cd3b5a0d14f3e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000900000-737b726b1cbd5b00e23b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-7029000000-8a1fca7bb4b3ebbe6e40	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dj-7000900000-f3a7104411eb9d578834	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006t-9002200000-68a6d38bc4ec96f79326	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006t-9000000000-f3bd9a4c68720336644b	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1523.0 Log mg/kg [860:2700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000513	Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.	Electrical & Electronic Equipment	PubChem
CEDs000621	Chutes And Slides?Chutes and slides, commonly found in playgrounds and recreational areas, are often constructed from synthetic materials such as plastics and rubber.	Recreation & sports surfaces	PubChem
CEDs000624	Merry Go Rounds?Merry-go-rounds, commonly found in playgrounds and recreational areas, can be a source of synthetic chemical contamination primarily due to the materials used in their construction.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Calcium release-activated calcium channel protein 1	Q96D31	Humans	Predicted (SEA)	Prediction Confidence Score 0.682 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	EF-hand calcium-binding domain-containing protein 4B	Q9BSW2	Humans	Predicted (SEA)	Prediction Confidence Score 0.53 Applicability Domain 0.53 Statistical Significance 4.00e-05 Supporting Reference Compounds 1 E-value 0.311397
Click to view 3D structure	Short transient receptor potential channel 3	Q13507	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 13 E-value 0.155698
Click to view 3D structure	Short transient receptor potential channel 5	Q9UL62	Humans	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 1.0 Statistical Significance 7.20e-04 Supporting Reference Compounds 21 E-value 5.60514
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.343 Statistical Significance 0.0777 Supporting Reference Compounds 1245 E-value 604.577
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.333 Statistical Significance 0.0108 Supporting Reference Compounds 201 E-value 84.3107
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.343 Statistical Significance 0.0713 Supporting Reference Compounds 1130 E-value 555.376
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.343 Statistical Significance 0.1258 Supporting Reference Compounds 1538 E-value 979.577
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.343 Statistical Significance 0.0532 Supporting Reference Compounds 793 E-value 414.469
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.333 Statistical Significance 0.0083 Supporting Reference Compounds 136 E-value 65.0041
Click to view 3D structure	Short transient receptor potential channel 3	Q9QZC1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.307 Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.333 Statistical Significance 0.0124 Supporting Reference Compounds 93 E-value 96.533
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.343 Statistical Significance 0.0692 Supporting Reference Compounds 825 E-value 538.794
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.343 Statistical Significance 0.0189 Supporting Reference Compounds 305 E-value 147.135
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.333 Statistical Significance 0.092 Supporting Reference Compounds 668 E-value 716.524
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.325 Statistical Significance 0.0495 Supporting Reference Compounds 331 E-value 385.354
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.325 Statistical Significance 0.043 Supporting Reference Compounds 284 E-value 334.674
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.333 Statistical Significance 0.0119 Supporting Reference Compounds 104 E-value 93.0298
Click to view 3D structure	Serine protease 1	P07477	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.325 Statistical Significance 0.0207 Supporting Reference Compounds 112 E-value 160.836
Click to view 3D structure	Coagulation factor X	O19045	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.325 Statistical Significance 0.0025 Supporting Reference Compounds 29 E-value 19.7737
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.333 Statistical Significance 0.0615 Supporting Reference Compounds 506 E-value 478.617
Click to view 3D structure	Transmembrane protease serine 4	Q9NRS4	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.284 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.63
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.333 Statistical Significance 0.0202 Supporting Reference Compounds 182 E-value 157.255
Click to view 3D structure	Coagulation factor X	O77669	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.286 Low confidence Statistical Significance 6.30e-04 Supporting Reference Compounds 2 E-value 4.9045
Click to view 3D structure	Coagulation factor IX	P00740	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.284 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 46 E-value 32.0739