[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-fluorothiophen-2-yl)methanone (CED0051860)

Record Information

Version

1.0

Creation Date

2026-08-18 07:29:23 UTC

Update Date

2026-08-18 07:29:23 UTC

SynCED ID

CED0051860

Secondary Accession Numbers

CHEM153663

Identification

Common Name

[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-fluorothiophen-2-yl)methanone

Class

Small Molecule

Description

[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-fluorothiophen-2-yl)methanone belongs to the thiazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C11H10FN3OS2 and an average molecular weight of 283.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₀FN₃OS₂

Average Molecular Mass

283.300 g/mol

Monoisotopic Mass

283.025 g/mol

CAS Registry Number

2230640-94-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H10FN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)

InChI Key

GVYPHJQPOHDZEI-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
270.0 Log mg/kg [150:480]	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
CEDs000043	Water heaters?Water heaters can be a source of synthetic chemical contamination primarily through the materials and coatings used in their construction.	Appliances, HVAC & refrigerants	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	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.22 Low confidence Statistical Significance 0.8258 Supporting Reference Compounds 389 E-value 6428.71
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.208 Low confidence Statistical Significance 0.9193 Supporting Reference Compounds 1029 E-value 7156.6
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.22 Low confidence Statistical Significance 0.9787 Supporting Reference Compounds 1538 E-value 7619.49
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.208 Low confidence Statistical Significance 0.9497 Supporting Reference Compounds 1157 E-value 7393.11
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.189 Low confidence Statistical Significance 0.9383 Supporting Reference Compounds 772 E-value 7304.59
Click to view 3D structure	Tyrosine-protein kinase ITK/TSK	Q08881	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.189 Low confidence Statistical Significance 0.9068 Supporting Reference Compounds 570 E-value 7059.45
Click to view 3D structure	Enteropeptidase	P98073	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.195 Low confidence Statistical Significance 0.0247 Supporting Reference Compounds 2 E-value 192.443
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.186 Low confidence Statistical Significance 0.9325 Supporting Reference Compounds 707 E-value 7259.21
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.186 Low confidence Statistical Significance 0.9234 Supporting Reference Compounds 681 E-value 7188.99
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.185 Low confidence Statistical Significance 0.9594 Supporting Reference Compounds 1660 E-value 7469.09
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 2	P37059	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.195 Low confidence Statistical Significance 0.1922 Supporting Reference Compounds 44 E-value 1496.65
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.195 Low confidence Statistical Significance 0.1321 Supporting Reference Compounds 42 E-value 1028.47
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.186 Low confidence Statistical Significance 0.9431 Supporting Reference Compounds 797 E-value 7342.12
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.185 Low confidence Statistical Significance 0.9437 Supporting Reference Compounds 927 E-value 7346.55
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.185 Low confidence Statistical Significance 0.962 Supporting Reference Compounds 1130 E-value 7489.1
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.189 Low confidence Statistical Significance 0.9304 Supporting Reference Compounds 798 E-value 7243.25
Click to view 3D structure	Serine/threonine protein kinase UL97	P16788	HHV-5	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.181 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 20.7079
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.192 Low confidence Statistical Significance 0.7125 Supporting Reference Compounds 343 E-value 5547.07
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.188 Low confidence Statistical Significance 0.9494 Supporting Reference Compounds 1022 E-value 7391.08
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.186 Low confidence Statistical Significance 0.9477 Supporting Reference Compounds 763 E-value 7377.69
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.185 Low confidence Statistical Significance 0.9347 Supporting Reference Compounds 833 E-value 7276.96
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.185 Low confidence Statistical Significance 0.9358 Supporting Reference Compounds 905 E-value 7285.52
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.185 Low confidence Statistical Significance 0.9455 Supporting Reference Compounds 934 E-value 7360.72
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.185 Low confidence Statistical Significance 0.9402 Supporting Reference Compounds 834 E-value 7319.7
Click to view 3D structure	Serine/threonine-protein kinase PLK1	P53350	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.185 Low confidence Statistical Significance 0.9345 Supporting Reference Compounds 705 E-value 7275.32