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

C12H10N2O4S — CID 65199858

IUPAC5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
SMILESCc1nc(C(=O)Nc2ccc(O)cc2C(=O)O)cs1
InChIInChI=1S/C12H10N2O4S/c1-6-13-10(5-19-6)11(16)14-9-3-2-7(15)4-8(9)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyZFTZYMRPKMIHPP-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.11
Rot. Bonds3

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

5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid (PubChem CID 65199858) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
PubChem CID65199858
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
SMILESCc1nc(C(=O)Nc2ccc(O)cc2C(=O)O)cs1
InChIInChI=1S/C12H10N2O4S/c1-6-13-10(5-19-6)11(16)14-9-3-2-7(15)4-8(9)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyZFTZYMRPKMIHPP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65200000
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-4-nitrobenzoic acid
CID 65199661
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550687
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 82703873
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid (CID 65199858) is 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid is Cc1nc(C(=O)Nc2ccc(O)cc2C(=O)O)cs1.
What is the InChIKey of 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The InChIKey is ZFTZYMRPKMIHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-6-13-10(5-19-6)11(16)14-9-3-2-7(15)4-8(9)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-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 5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 65199858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).