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

C13H12N2O4S — CID 82226564

IUPAC2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cccc(-c2nc(NC(C)=O)sc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c1-7(16)14-13-15-10(11(20-13)12(17)18)8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyBFZOAMHKUJRSBM-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.48
Rot. Bonds4

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

2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226564) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82226564
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cccc(-c2nc(NC(C)=O)sc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c1-7(16)14-13-15-10(11(20-13)12(17)18)8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyBFZOAMHKUJRSBM-UHFFFAOYSA-N
XLogP2.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970415
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
2-[[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87383299
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-bromo-5-methoxybenzamide
CID 26196544
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7747065
2-(5,6-dimethoxybenzimidazol-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 23653913
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 82226564) is 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1cccc(-c2nc(NC(C)=O)sc2C(=O)O)c1.
What is the InChIKey of 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BFZOAMHKUJRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-7(16)14-13-15-10(11(20-13)12(17)18)8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).