5-chloro-3-(4-methylphenyl)-1,2-thiazole

C10H8ClNS — CID 83909476

IUPAC5-chloro-3-(4-methylphenyl)-1,2-thiazole
SMILESCc1ccc(-c2cc(Cl)sn2)cc1
InChIInChI=1S/C10H8ClNS/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3
InChIKeyBPAVCVUVCQYPFE-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.77
Rot. Bonds1

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

5-chloro-3-(4-methylphenyl)-1,2-thiazole (PubChem CID 83909476) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 5-chloro-3-(4-methylphenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-chloro-3-(4-methylphenyl)-1,2-thiazole
PubChem CID83909476
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name5-chloro-3-(4-methylphenyl)-1,2-thiazole
SMILESCc1ccc(-c2cc(Cl)sn2)cc1
InChIInChI=1S/C10H8ClNS/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3
InChIKeyBPAVCVUVCQYPFE-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(4-methylphenyl)-1,2-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 5-chloro-3-(4-methylphenyl)-1,2-thiazole?
The IUPAC name of 5-chloro-3-(4-methylphenyl)-1,2-thiazole (CID 83909476) is 5-chloro-3-(4-methylphenyl)-1,2-thiazole.
What is the SMILES notation for 5-chloro-3-(4-methylphenyl)-1,2-thiazole?
The canonical SMILES for 5-chloro-3-(4-methylphenyl)-1,2-thiazole is Cc1ccc(-c2cc(Cl)sn2)cc1.
What is the InChIKey of 5-chloro-3-(4-methylphenyl)-1,2-thiazole?
The InChIKey is BPAVCVUVCQYPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3.
What are the key properties of 5-chloro-3-(4-methylphenyl)-1,2-thiazole?
5-chloro-3-(4-methylphenyl)-1,2-thiazole has a molecular weight of 209.70 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylphenyl)-1,2-thiazole is sourced from PubChem (CID 83909476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).