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

C23H16ClNO2S — CID 35211552

IUPAC2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16ClNO2S/c24-19-12-10-18(11-13-19)23-25-22(20(28-23)14-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27)
InChIKeyPHIMMNHOPBSCKI-UHFFFAOYSA-N
MW405.91 g/mol
LogP6.42
Rot. Bonds5

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

2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 35211552) has the molecular formula C23H16ClNO2S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID35211552
Molecular FormulaC23H16ClNO2S
Molecular Weight405.91 g/mol
Exact Mass405.06
IUPAC Name2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16ClNO2S/c24-19-12-10-18(11-13-19)23-25-22(20(28-23)14-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27)
InChIKeyPHIMMNHOPBSCKI-UHFFFAOYSA-N
XLogP6.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)-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

Related Compounds

2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
CID 6450642
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-[2-[4-(4-chlorophenoxy)butyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 110311524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 35211552) is 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PHIMMNHOPBSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2S/c24-19-12-10-18(11-13-19)23-25-22(20(28-23)14-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27).
What are the key properties of 2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 405.91 g/mol, XLogP of 6.42, 5 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-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 35211552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).