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

C12H13N3OS — CID 110472168

IUPAC6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCc2cscn2)n1
InChIInChI=1S/C12H13N3OS/c1-9-3-2-4-11(15-9)12(16)13-6-5-10-7-17-8-14-10/h2-4,7-8H,5-6H2,1H3,(H,13,16)
InChIKeyATAUSZLPDJQOSE-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.82
Rot. Bonds4

About 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide

6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 110472168) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID110472168
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCc2cscn2)n1
InChIInChI=1S/C12H13N3OS/c1-9-3-2-4-11(15-9)12(16)13-6-5-10-7-17-8-14-10/h2-4,7-8H,5-6H2,1H3,(H,13,16)
InChIKeyATAUSZLPDJQOSE-UHFFFAOYSA-N
XLogP1.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 78954440
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide (CID 110472168) is 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NCCc2cscn2)n1.
What is the InChIKey of 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is ATAUSZLPDJQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-3-2-4-11(15-9)12(16)13-6-5-10-7-17-8-14-10/h2-4,7-8H,5-6H2,1H3,(H,13,16).
What are the key properties of 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110472168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).