2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid

C13H12N2O3S — CID 114030951

IUPAC2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
SMILESCc1cc(NC(=O)c2cncs2)cc(C(=O)O)c1C
InChIInChI=1S/C13H12N2O3S/c1-7-3-9(4-10(8(7)2)13(17)18)15-12(16)11-5-14-6-19-11/h3-6H,1-2H3,(H,15,16)(H,17,18)
InChIKeyTWBUNKFZWXIWOS-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.71
Rot. Bonds3

About 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid

2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid (PubChem CID 114030951) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
PubChem CID114030951
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
SMILESCc1cc(NC(=O)c2cncs2)cc(C(=O)O)c1C
InChIInChI=1S/C13H12N2O3S/c1-7-3-9(4-10(8(7)2)13(17)18)15-12(16)11-5-14-6-19-11/h3-6H,1-2H3,(H,15,16)(H,17,18)
InChIKeyTWBUNKFZWXIWOS-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 113222078
5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 79976429
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63020357
5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 104638237
4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030924
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63021221
N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 150699383
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 63020674

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
The IUPAC name of 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid (CID 114030951) is 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid is Cc1cc(NC(=O)c2cncs2)cc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
The InChIKey is TWBUNKFZWXIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-3-9(4-10(8(7)2)13(17)18)15-12(16)11-5-14-6-19-11/h3-6H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid has a molecular weight of 276.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 114030951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).