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

C13H12ClNO3S — CID 82027973

IUPAC2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCCc1sc(=O)n(CC(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3S/c1-2-10-12(8-3-5-9(14)6-4-8)15(7-11(16)17)13(18)19-10/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyJDXXRMGFGFJSJM-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.88
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 82027973) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID82027973
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCCc1sc(=O)n(CC(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3S/c1-2-10-12(8-3-5-9(14)6-4-8)15(7-11(16)17)13(18)19-10/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyJDXXRMGFGFJSJM-UHFFFAOYSA-N
XLogP2.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-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-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
CID 92936565
2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027979
2-[4-(1,3-benzodioxol-5-yl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027984
2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936564
4-[4-(4-chlorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286990
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one
CID 71852640
2-[3-(4-chloroanilino)-2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-indol-1-yl]acetic acid
CID 71500317
2-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethylpyrrol-1-yl]acetic acid
CID 53211884
5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid
CID 7018688
2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936551
2-[5-methyl-4-(3-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 43286885

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 82027973) is 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid is CCc1sc(=O)n(CC(=O)O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is JDXXRMGFGFJSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-2-10-12(8-3-5-9(14)6-4-8)15(7-11(16)17)13(18)19-10/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 297.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 82027973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).