4-amino-3-propylsulfanylthieno[2,3-c][1,2]thiazole-5-carbonitrile (CED0316350)

Record Information

Version

1.0

Creation Date

2026-09-01 17:36:26 UTC

Update Date

2026-09-01 17:36:26 UTC

SynCED ID

CED0316350

Secondary Accession Numbers

CHEM362330

Identification

Common Name

4-amino-3-propylsulfanylthieno[2,3-c][1,2]thiazole-5-carbonitrile

Class

Small Molecule

Description

4-amino-3-propylsulfanylthieno[2,3-c][1,2]thiazole-5-carbonitrile is a chemical compound with the formula C9H9N3S3. It has an average molecular weight of 255.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉N₃S₃

Average Molecular Mass

Not Available

Monoisotopic Mass

254.996 g/mol

CAS Registry Number

135489-24-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCSC1=C2C(=C(SC2=NS1)C#N)N

InChI Identifier

InChI=1S/C9H9N3S3/c1-2-3-13-9-6-7(11)5(4-10)14-8(6)12-15-9/h2-3,11H2,1H3

InChI Key

XRXAGCWTYJKTPK-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
700.0 Log mg/kg [390:1200]	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
No Sources linked to this compound

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	Glycogen synthase kinase-3	P51136	Dictyostelium discoideum	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.187 Low confidence Statistical Significance 0.0195 Supporting Reference Compounds 1 E-value 151.884
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.194 Low confidence Statistical Significance 0.546 Supporting Reference Compounds 156 E-value 4250.57
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.185 Low confidence Statistical Significance 0.956 Supporting Reference Compounds 934 E-value 7442.23
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.185 Low confidence Statistical Significance 0.9618 Supporting Reference Compounds 772 E-value 7487.3
Click to view 3D structure	Ephrin type-A receptor 2	P29317	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.185 Low confidence Statistical Significance 0.9557 Supporting Reference Compounds 611 E-value 7440.13
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.183 Low confidence Statistical Significance 0.9564 Supporting Reference Compounds 861 E-value 7445.27
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.187 Low confidence Statistical Significance 0.9737 Supporting Reference Compounds 1157 E-value 7580.33
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.181 Low confidence Statistical Significance 0.9376 Supporting Reference Compounds 389 E-value 7298.83
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q07422	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.194 Low confidence Statistical Significance 0.3781 Supporting Reference Compounds 89 E-value 2943.56
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.181 Low confidence Statistical Significance 0.9806 Supporting Reference Compounds 1301 E-value 7633.89
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.203 Low confidence Statistical Significance 0.9862 Supporting Reference Compounds 1130 E-value 7677.57
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.203 Low confidence Statistical Significance 0.9783 Supporting Reference Compounds 793 E-value 7616.38
Click to view 3D structure	STE20/SPS1-related proline-alanine-rich protein kinase	O88506	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.169 Low confidence Statistical Significance 0.1806 Supporting Reference Compounds 1 E-value 1405.88
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.203 Low confidence Statistical Significance 0.9842 Supporting Reference Compounds 825 E-value 7661.61
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.181 Low confidence Statistical Significance 0.9606 Supporting Reference Compounds 711 E-value 7478.51
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.185 Low confidence Statistical Significance 0.966 Supporting Reference Compounds 782 E-value 7520.31
Click to view 3D structure	Tyrosine-protein kinase Lyn	P07948	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.181 Low confidence Statistical Significance 0.9591 Supporting Reference Compounds 666 E-value 7466.83
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.181 Low confidence Statistical Significance 0.9674 Supporting Reference Compounds 869 E-value 7531.29
Click to view 3D structure	Serine/threonine-protein kinase D3	O94806	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.185 Low confidence Statistical Significance 0.9587 Supporting Reference Compounds 628 E-value 7463.48
Click to view 3D structure	Tyrosine-protein kinase ITK/TSK	Q08881	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.181 Low confidence Statistical Significance 0.9574 Supporting Reference Compounds 570 E-value 7453.67
Click to view 3D structure	Fibroblast growth factor receptor 3	P22607	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.181 Low confidence Statistical Significance 0.9608 Supporting Reference Compounds 616 E-value 7479.52
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.185 Low confidence Statistical Significance 0.9813 Supporting Reference Compounds 1660 E-value 7639.42
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.183 Low confidence Statistical Significance 0.9781 Supporting Reference Compounds 1103 E-value 7614.12
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.183 Low confidence Statistical Significance 0.9131 Supporting Reference Compounds 528 E-value 7108.72
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.185 Low confidence Statistical Significance 0.9612 Supporting Reference Compounds 565 E-value 7482.71