4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

C13H13N3O4S — CID 80655774

IUPAC4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C13H13N3O4S/c17-10(18)5-1-3-8-7-21-13(15-8)16-12(20)9-4-2-6-14-11(9)19/h2,4,6-7H,1,3,5H2,(H,14,19)(H,17,18)(H,15,16,20)
InChIKeyVGXHRCMXYQGQFV-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.49
Rot. Bonds6

About 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655774) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655774
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C13H13N3O4S/c17-10(18)5-1-3-8-7-21-13(15-8)16-12(20)9-4-2-6-14-11(9)19/h2,4,6-7H,1,3,5H2,(H,14,19)(H,17,18)(H,15,16,20)
InChIKeyVGXHRCMXYQGQFV-UHFFFAOYSA-N
XLogP1.49
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
2-oxo-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881515
N-[4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 27378479
N-[4-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 27378481
4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655799
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655852
4-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655686
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid (CID 80655774) is 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)c2ccc[nH]c2=O)n1.
What is the InChIKey of 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is VGXHRCMXYQGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-10(18)5-1-3-8-7-21-13(15-8)16-12(20)9-4-2-6-14-11(9)19/h2,4,6-7H,1,3,5H2,(H,14,19)(H,17,18)(H,15,16,20).
What are the key properties of 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).