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

C13H12N4OS — CID 63716752

IUPAC5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1csc(CCNC(=O)c2ccc(C#N)cn2)n1
InChIInChI=1S/C13H12N4OS/c1-9-8-19-12(17-9)4-5-15-13(18)11-3-2-10(6-14)7-16-11/h2-3,7-8H,4-5H2,1H3,(H,15,18)
InChIKeyQQJXEBKBCFYNPS-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.69
Rot. Bonds4

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

5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 63716752) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID63716752
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1csc(CCNC(=O)c2ccc(C#N)cn2)n1
InChIInChI=1S/C13H12N4OS/c1-9-8-19-12(17-9)4-5-15-13(18)11-3-2-10(6-14)7-16-11/h2-3,7-8H,4-5H2,1H3,(H,15,18)
InChIKeyQQJXEBKBCFYNPS-UHFFFAOYSA-N
XLogP1.69
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 104641287
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
CID 110467553
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 103775088
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide (CID 63716752) is 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is Cc1csc(CCNC(=O)c2ccc(C#N)cn2)n1.
What is the InChIKey of 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is QQJXEBKBCFYNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-8-19-12(17-9)4-5-15-13(18)11-3-2-10(6-14)7-16-11/h2-3,7-8H,4-5H2,1H3,(H,15,18).
What are the key properties of 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide?
5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 63716752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).