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

C12H10N2O3S — CID 18071798

IUPAC2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncsc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-7-10(18-6-13-7)11(15)14-9-5-3-2-4-8(9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeySDLNVFDHSMOTJW-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.40
Rot. Bonds3

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

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 18071798) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID18071798
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncsc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-7-10(18-6-13-7)11(15)14-9-5-3-2-4-8(9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeySDLNVFDHSMOTJW-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2E)-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95765462
4-methyl-N-(2-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 61130905
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75493724
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]benzoic acid
CID 63837681
N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99832381
4-methyl-N-(4-methyl-3-phenyl-1,2-oxazol-5-yl)-1,3-thiazole-5-carboxamide
CID 134713201
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
CID 27035862
N-(3-amino-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63062084
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 18071798) is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Cc1ncsc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is SDLNVFDHSMOTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-10(18-6-13-7)11(15)14-9-5-3-2-4-8(9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 262.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 18071798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).