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

C12H10ClNO2S — CID 28859

IUPAC2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CC(=O)O
InChIInChI=1S/C12H10ClNO2S/c1-7-10(6-11(15)16)17-12(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyPQLZUIFGDGNALU-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.40
Rot. Bonds3

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

2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 28859) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID28859
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CC(=O)O
InChIInChI=1S/C12H10ClNO2S/c1-7-10(6-11(15)16)17-12(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyPQLZUIFGDGNALU-UHFFFAOYSA-N
XLogP3.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fentiazac
CID 28871
Fenclozic Acid
CID 28858
2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
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-(2-((4-Chlorophenyl)(phenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11495838
2-(2-Benzhydryl-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
CID 11517351
2-(4-(4-Chlorophenyl)-2-((4-chlorophenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
CID 11590561
2-(2-(Biphenyl-2-ylmethyl)-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
CID 46229805
2-(4-(4-Chlorophenyl)-2-(1-phenylpropyl)thiazol-5-yl)acetic acid
CID 46229937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 28859) is 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(-c2ccc(Cl)cc2)sc1CC(=O)O.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PQLZUIFGDGNALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-10(6-11(15)16)17-12(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 267.74 g/mol, XLogP of 3.40, 3 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-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 28859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).