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

C13H11NO4S — CID 106696093

IUPAC5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C13H11NO4S/c1-7(15)11-10(13(16)17)14-12(19-11)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,16,17)
InChIKeyIPGGLIKVXRIJBY-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.72
Rot. Bonds4

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

5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696093) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696093
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C13H11NO4S/c1-7(15)11-10(13(16)17)14-12(19-11)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,16,17)
InChIKeyIPGGLIKVXRIJBY-UHFFFAOYSA-N
XLogP2.72
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-2-(2-methoxyphenyl)-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-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276870
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 136690611
5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 107380209
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
5-acetyl-2-isoquinolin-4-yl-1,3-thiazole-4-carboxylic acid
CID 106696109
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696152
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 106696093) is 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1ccccc1-c1nc(C(=O)O)c(C(C)=O)s1.
What is the InChIKey of 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IPGGLIKVXRIJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-7(15)11-10(13(16)17)14-12(19-11)8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).