2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C17H12ClNO2S — CID 2763924

IUPAC2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H12ClNO2S/c18-13-8-6-12(7-9-13)17-19-16(11-4-2-1-3-5-11)14(22-17)10-15(20)21/h1-9H,10H2,(H,20,21)
InChIKeyIGIVWRJICPRDTF-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.76
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 2763924) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID2763924
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H12ClNO2S/c18-13-8-6-12(7-9-13)17-19-16(11-4-2-1-3-5-11)14(22-17)10-15(20)21/h1-9H,10H2,(H,20,21)
InChIKeyIGIVWRJICPRDTF-UHFFFAOYSA-N
XLogP4.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid 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-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 2763924) is 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IGIVWRJICPRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c18-13-8-6-12(7-9-13)17-19-16(11-4-2-1-3-5-11)14(22-17)10-15(20)21/h1-9H,10H2,(H,20,21).
What are the key properties of 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 329.81 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2763924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).