5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide

C11H8N4O2S — CID 103775088

IUPAC5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2csc(=O)[nH]2)nc1
InChIInChI=1S/C11H8N4O2S/c12-3-7-1-2-9(13-4-7)10(16)14-5-8-6-18-11(17)15-8/h1-2,4,6H,5H2,(H,14,16)(H,15,17)
InChIKeyQUJXPMNGAKKUJH-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.63
Rot. Bonds3

About 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide

5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 103775088) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID103775088
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2csc(=O)[nH]2)nc1
InChIInChI=1S/C11H8N4O2S/c12-3-7-1-2-9(13-4-7)10(16)14-5-8-6-18-11(17)15-8/h1-2,4,6H,5H2,(H,14,16)(H,15,17)
InChIKeyQUJXPMNGAKKUJH-UHFFFAOYSA-N
XLogP0.63
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63716752
5-cyano-N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 113355793
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (CID 103775088) is 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCc2csc(=O)[nH]2)nc1.
What is the InChIKey of 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is QUJXPMNGAKKUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-3-7-1-2-9(13-4-7)10(16)14-5-8-6-18-11(17)15-8/h1-2,4,6H,5H2,(H,14,16)(H,15,17).
What are the key properties of 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).