6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid

C12H11N3O3S — CID 61317360

IUPAC6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C12H11N3O3S/c1-6-10(19-7(2)14-6)11(16)15-9-4-3-8(5-13-9)12(17)18/h3-5H,1-2H3,(H,17,18)(H,13,15,16)
InChIKeyGPMJUTGDXYEFOD-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.11
Rot. Bonds3

About 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid

6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 61317360) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID61317360
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C12H11N3O3S/c1-6-10(19-7(2)14-6)11(16)15-9-4-3-8(5-13-9)12(17)18/h3-5H,1-2H3,(H,17,18)(H,13,15,16)
InChIKeyGPMJUTGDXYEFOD-UHFFFAOYSA-N
XLogP2.11
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
6-[(3-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 22099827
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61389277
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474325
2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230469
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid (CID 61317360) is 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid is Cc1nc(C)c(C(=O)Nc2ccc(C(=O)O)cn2)s1.
What is the InChIKey of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GPMJUTGDXYEFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-6-10(19-7(2)14-6)11(16)15-9-4-3-8(5-13-9)12(17)18/h3-5H,1-2H3,(H,17,18)(H,13,15,16).
What are the key properties of 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61317360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).