3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile

C11H8ClN3S2 — CID 133425990

IUPAC3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
SMILESCSc1ccc(Nc2snc(Cl)c2C#N)cc1
InChIInChI=1S/C11H8ClN3S2/c1-16-8-4-2-7(3-5-8)14-11-9(6-13)10(12)15-17-11/h2-5,14H,1H3
InChIKeyYCZLOPVDOYSYTM-UHFFFAOYSA-N
MW281.79 g/mol
LogP4.13
Rot. Bonds3

About 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile

3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile (PubChem CID 133425990) has the molecular formula C11H8ClN3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
PubChem CID133425990
Molecular FormulaC11H8ClN3S2
Molecular Weight281.79 g/mol
Exact Mass280.98
IUPAC Name3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
SMILESCSc1ccc(Nc2snc(Cl)c2C#N)cc1
InChIInChI=1S/C11H8ClN3S2/c1-16-8-4-2-7(3-5-8)14-11-9(6-13)10(12)15-17-11/h2-5,14H,1H3
InChIKeyYCZLOPVDOYSYTM-UHFFFAOYSA-N
XLogP4.13
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile (CID 133425990) is 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile is CSc1ccc(Nc2snc(Cl)c2C#N)cc1.
What is the InChIKey of 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile?
The InChIKey is YCZLOPVDOYSYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S2/c1-16-8-4-2-7(3-5-8)14-11-9(6-13)10(12)15-17-11/h2-5,14H,1H3.
What are the key properties of 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile has a molecular weight of 281.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133425990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).