(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone

C16H9Cl2NOS — CID 3316145

IUPAC(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H9Cl2NOS/c17-12-5-1-10(2-6-12)15(20)14-9-19-16(21-14)11-3-7-13(18)8-4-11/h1-9H
InChIKeyKJOJFUPYNBMIBD-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.35
Rot. Bonds3

About (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone

(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 3316145) has the molecular formula C16H9Cl2NOS and a molecular weight of 334.23 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone
PubChem CID3316145
Molecular FormulaC16H9Cl2NOS
Molecular Weight334.23 g/mol
Exact Mass332.98
IUPAC Name(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H9Cl2NOS/c17-12-5-1-10(2-6-12)15(20)14-9-19-16(21-14)11-3-7-13(18)8-4-11/h1-9H
InChIKeyKJOJFUPYNBMIBD-UHFFFAOYSA-N
XLogP5.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone 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-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone (CID 3316145) is (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccc(Cl)cc1)c1cnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is KJOJFUPYNBMIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NOS/c17-12-5-1-10(2-6-12)15(20)14-9-19-16(21-14)11-3-7-13(18)8-4-11/h1-9H.
What are the key properties of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone?
(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 334.23 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 3316145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).