4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole

C10H8ClNS2 — CID 91538393

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESClc1ccc(SCc2cscn2)cc1
InChIInChI=1S/C10H8ClNS2/c11-8-1-3-10(4-2-8)14-6-9-5-13-7-12-9/h1-5,7H,6H2
InChIKeyDJLSAPINPLZEQS-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.09
Rot. Bonds3

About 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole

4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 91538393) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID91538393
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESClc1ccc(SCc2cscn2)cc1
InChIInChI=1S/C10H8ClNS2/c11-8-1-3-10(4-2-8)14-6-9-5-13-7-12-9/h1-5,7H,6H2
InChIKeyDJLSAPINPLZEQS-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole 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 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole (CID 91538393) is 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole is Clc1ccc(SCc2cscn2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is DJLSAPINPLZEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c11-8-1-3-10(4-2-8)14-6-9-5-13-7-12-9/h1-5,7H,6H2.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole?
4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 241.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 91538393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).