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

C17H12ClNO2S — CID 28871

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IUPAC2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
InChIKeyJIEKMACRVQTPRC-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.76
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 28871) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID28871
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
InChIKeyJIEKMACRVQTPRC-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

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Related Compounds

2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-Benzhydryl-4-phenylthiazol-5-yl)acetic acid
CID 46230226
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
2-(2-(1,1-Diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46880900
2-[2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 723168
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1473793
2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2763924
2-[2-(2-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2764046
[2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 4151303

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid (CID 28871) is 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JIEKMACRVQTPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21).
What are the key properties of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-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-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 28871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).