5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid

C12H7ClFNO3S — CID 106696128

IUPAC5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2cccc(Cl)c2F)nc1C(=O)O
InChIInChI=1S/C12H7ClFNO3S/c1-5(16)10-9(12(17)18)15-11(19-10)6-3-2-4-7(13)8(6)14/h2-4H,1H3,(H,17,18)
InChIKeyTXROIWVPALHYSW-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.50
Rot. Bonds3

About 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696128) has the molecular formula C12H7ClFNO3S and a molecular weight of 299.71 g/mol. Its IUPAC name is 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696128
Molecular FormulaC12H7ClFNO3S
Molecular Weight299.71 g/mol
Exact Mass298.98
IUPAC Name5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2cccc(Cl)c2F)nc1C(=O)O
InChIInChI=1S/C12H7ClFNO3S/c1-5(16)10-9(12(17)18)15-11(19-10)6-3-2-4-7(13)8(6)14/h2-4H,1H3,(H,17,18)
InChIKeyTXROIWVPALHYSW-UHFFFAOYSA-N
XLogP3.50
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic 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

5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 107380209
5-acetyl-2-isoquinolin-4-yl-1,3-thiazole-4-carboxylic acid
CID 106696109
5-acetyl-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
5-acetyl-2-(3-aminophenyl)-1,3-thiazole-4-carboxylic acid
CID 107380226
2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510037
2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661888
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
1-[4-(3-chloro-2-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82540986
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 106696128) is 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(-c2cccc(Cl)c2F)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is TXROIWVPALHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO3S/c1-5(16)10-9(12(17)18)15-11(19-10)6-3-2-4-7(13)8(6)14/h2-4H,1H3,(H,17,18).
What are the key properties of 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.71 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).