4-chloro-2-phenyl-1,3-thiazole

C9H6ClNS — CID 15179913

IUPAC4-chloro-2-phenyl-1,3-thiazole
SMILESClc1csc(-c2ccccc2)n1
InChIInChI=1S/C9H6ClNS/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyZGTKMQPVIJKNNM-UHFFFAOYSA-N
MW195.67 g/mol
LogP3.46
Rot. Bonds1

About 4-chloro-2-phenyl-1,3-thiazole

4-chloro-2-phenyl-1,3-thiazole (PubChem CID 15179913) has the molecular formula C9H6ClNS and a molecular weight of 195.67 g/mol. Its IUPAC name is 4-chloro-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-phenyl-1,3-thiazole
PubChem CID15179913
Molecular FormulaC9H6ClNS
Molecular Weight195.67 g/mol
Exact Mass194.99
IUPAC Name4-chloro-2-phenyl-1,3-thiazole
SMILESClc1csc(-c2ccccc2)n1
InChIInChI=1S/C9H6ClNS/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyZGTKMQPVIJKNNM-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-phenyl-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-chloro-2-phenyl-1,3-thiazole?
The IUPAC name of 4-chloro-2-phenyl-1,3-thiazole (CID 15179913) is 4-chloro-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-chloro-2-phenyl-1,3-thiazole is Clc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-phenyl-1,3-thiazole?
The InChIKey is ZGTKMQPVIJKNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-2-phenyl-1,3-thiazole?
4-chloro-2-phenyl-1,3-thiazole has a molecular weight of 195.67 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-1,3-thiazole is sourced from PubChem (CID 15179913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).