2-(4-chlorophenyl)sulfanyl-1,3-thiazole

C9H6ClNS2 — CID 820439

IUPAC2-(4-chlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1ccc(Sc2nccs2)cc1
InChIInChI=1S/C9H6ClNS2/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-6H
InChIKeyQOTZXBVPRSJIAJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.95
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-1,3-thiazole

2-(4-chlorophenyl)sulfanyl-1,3-thiazole (PubChem CID 820439) has the molecular formula C9H6ClNS2 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1,3-thiazole
PubChem CID820439
Molecular FormulaC9H6ClNS2
Molecular Weight227.74 g/mol
Exact Mass226.96
IUPAC Name2-(4-chlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1ccc(Sc2nccs2)cc1
InChIInChI=1S/C9H6ClNS2/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-6H
InChIKeyQOTZXBVPRSJIAJ-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)sulfanyl-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 2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,3-thiazole (CID 820439) is 2-(4-chlorophenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1,3-thiazole is Clc1ccc(Sc2nccs2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The InChIKey is QOTZXBVPRSJIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS2/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-6H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
2-(4-chlorophenyl)sulfanyl-1,3-thiazole has a molecular weight of 227.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 820439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).