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

C9H6ClNS — CID 2761359

IUPAC2-chloro-4-phenyl-1,3-thiazole
SMILESClc1nc(-c2ccccc2)cs1
InChIInChI=1S/C9H6ClNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPNWMACLGSAOQCI-UHFFFAOYSA-N
MW195.67 g/mol
LogP3.46
Rot. Bonds1

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

2-chloro-4-phenyl-1,3-thiazole (PubChem CID 2761359) has the molecular formula C9H6ClNS and a molecular weight of 195.67 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-phenyl-1,3-thiazole
PubChem CID2761359
Molecular FormulaC9H6ClNS
Molecular Weight195.67 g/mol
Exact Mass194.99
IUPAC Name2-chloro-4-phenyl-1,3-thiazole
SMILESClc1nc(-c2ccccc2)cs1
InChIInChI=1S/C9H6ClNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPNWMACLGSAOQCI-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 2-chloro-4-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 2-chloro-4-phenyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-phenyl-1,3-thiazole (CID 2761359) is 2-chloro-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-phenyl-1,3-thiazole is Clc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-chloro-4-phenyl-1,3-thiazole?
The InChIKey is PNWMACLGSAOQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-chloro-4-phenyl-1,3-thiazole?
2-chloro-4-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 2-chloro-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).