2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid

C23H17ClN2O2S — CID 46230337

IUPAC2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-18-10-12-19(13-11-18)25-23-26-22(20(29-23)14-21(27)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyCWDZVERTSGXFFZ-UHFFFAOYSA-N
MW420.92 g/mol
LogP6.50
Rot. Bonds6

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

2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 46230337) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID46230337
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC Name2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-18-10-12-19(13-11-18)25-23-26-22(20(29-23)14-21(27)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyCWDZVERTSGXFFZ-UHFFFAOYSA-N
XLogP6.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-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-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 46230337) is 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is CWDZVERTSGXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-18-10-12-19(13-11-18)25-23-26-22(20(29-23)14-21(27)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 420.92 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroanilino)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46230337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).