2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

C12H10N2O4S — CID 114030920

IUPAC2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncc(C(=O)Nc2ccc(C(=O)O)c(O)c2)s1
InChIInChI=1S/C12H10N2O4S/c1-6-13-5-10(19-6)11(16)14-7-2-3-8(12(17)18)9(15)4-7/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyKMYFZBQITPXYLG-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.11
Rot. Bonds3

About 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 114030920) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID114030920
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncc(C(=O)Nc2ccc(C(=O)O)c(O)c2)s1
InChIInChI=1S/C12H10N2O4S/c1-6-13-5-10(19-6)11(16)14-7-2-3-8(12(17)18)9(15)4-7/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyKMYFZBQITPXYLG-UHFFFAOYSA-N
XLogP2.11
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic 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

N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
4-bromo-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030937
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 114030920) is 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Cc1ncc(C(=O)Nc2ccc(C(=O)O)c(O)c2)s1.
What is the InChIKey of 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is KMYFZBQITPXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-6-13-5-10(19-6)11(16)14-7-2-3-8(12(17)18)9(15)4-7/h2-5,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 278.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114030920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).