[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1h-indol-3-yl)methanone (CED0065937)

Record Information

Version

1.0

Creation Date

2026-08-18 23:07:48 UTC

Update Date

2026-08-18 23:07:48 UTC

Accession Number

CHEM171417

Identification

Common Name

[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1h-indol-3-yl)methanone

Class

Small Molecule

Description

[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1h-indol-3-yl)methanone belongs to the indolecarboxylic acids and derivatives, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C13H12N4OS and an average molecular weight of 272.33 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₂N₄OS

Average Molecular Mass

272.330 g/mol

Monoisotopic Mass

272.073 g/mol

CAS Registry Number

75351-10-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C13H12N4OS/c1-17(2)13-15-12(19-16-13)11(18)9-7-14-10-6-4-3-5-8(9)10/h3-7,14H,1-2H3

InChI Key

XXIZLPNTFMKYIO-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	splash10-0006-2940000000-f0cf5edd261ddcaecac3	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-0090000000-2d4c244570d4639cd521	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0490000000-0c9f48bdb11a8b914331	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-1900000000-2c69f8492255b74d7a4c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0090000000-db2838817e8f8012180b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0690000000-d54f6606c4e73b16d11c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01si-7930000000-249a3dfe82117358fc90	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
251.0	Log mg/kg	[140:450]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

Pathways

0 pathways

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	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	1547.88
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	335.842
Click to view 3D structure	Aryl hydrocarbon receptor	P35869	Humans	Predicted (SEA)	4.20386
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	566.976
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	487.336
Click to view 3D structure	Deubiquitinase and deneddylase Dub1	B0B9A0	Chlamydia trachomatis serovar L2 (strain ATCC VR-902B / DSM 19102 /434/Bu)	Predicted (SEA)	9.41976
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	75.6694
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	401.858
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	346.974
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	1547.8
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	21.6421
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	195.324
Click to view 3D structure	Cystic fibrosis transmembrane conductance regulator	P34158	Rattus norvegicus	Predicted (SEA)	23.6662
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	527.506
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	431.985
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	627.076
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	377.569
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	280.724
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	704.224
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	1409.15
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	1662.86
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P49582	Mus musculus	Predicted (SEA)	3.26967
Click to view 3D structure	5-hydroxytryptamine receptor 5A	P47898	Humans	Predicted (SEA)	308.283
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	2020.58
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	1430.17