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

C12H10N4O4S — CID 63153384

IUPAC5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)Nc2cncc(C(=O)O)c2)cs1
InChIInChI=1S/C12H10N4O4S/c1-6(17)14-12-16-9(5-21-12)10(18)15-8-2-7(11(19)20)3-13-4-8/h2-5H,1H3,(H,15,18)(H,19,20)(H,14,16,17)
InChIKeyFUGUMTNQCZJNRA-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.45
Rot. Bonds4

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

5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63153384) has the molecular formula C12H10N4O4S and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63153384
Molecular FormulaC12H10N4O4S
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC Name5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)Nc2cncc(C(=O)O)c2)cs1
InChIInChI=1S/C12H10N4O4S/c1-6(17)14-12-16-9(5-21-12)10(18)15-8-2-7(11(19)20)3-13-4-8/h2-5H,1H3,(H,15,18)(H,19,20)(H,14,16,17)
InChIKeyFUGUMTNQCZJNRA-UHFFFAOYSA-N
XLogP1.45
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(propanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164379
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 79802054
4-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164401
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018758
5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
CID 63154178
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
5-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 76986589
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 47289778
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391

Frequently Asked Questions

What is the IUPAC name of 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid (CID 63153384) is 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid is CC(=O)Nc1nc(C(=O)Nc2cncc(C(=O)O)c2)cs1.
What is the InChIKey of 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is FUGUMTNQCZJNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4S/c1-6(17)14-12-16-9(5-21-12)10(18)15-8-2-7(11(19)20)3-13-4-8/h2-5H,1H3,(H,15,18)(H,19,20)(H,14,16,17).
What are the key properties of 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).