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

C12H10N2O4S — CID 24697420

IUPAC2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncsc1C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O4S/c1-6-10(19-5-13-6)11(16)14-7-2-3-9(15)8(4-7)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyGFBVDVOHYCIHGA-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.11
Rot. Bonds3

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

2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 24697420) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID24697420
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncsc1C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O4S/c1-6-10(19-5-13-6)11(16)14-7-2-3-9(15)8(4-7)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyGFBVDVOHYCIHGA-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 99838573
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 138042482
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 24697420) is 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Cc1ncsc1C(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is GFBVDVOHYCIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-6-10(19-5-13-6)11(16)14-7-2-3-9(15)8(4-7)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
2-hydroxy-5-[(4-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-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 24697420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).