2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile

C13H14N4S — CID 164631807

IUPAC2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1cnc([C@H](C)Nc2ccc(C#N)c(C)n2)s1
InChIInChI=1S/C13H14N4S/c1-8-7-15-13(18-8)10(3)17-12-5-4-11(6-14)9(2)16-12/h4-5,7,10H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyLQJFYFATFYTBGK-JTQLQIEISA-N
MW258.35 g/mol
LogP3.20
Rot. Bonds3

About 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile

2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 164631807) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID164631807
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1cnc([C@H](C)Nc2ccc(C#N)c(C)n2)s1
InChIInChI=1S/C13H14N4S/c1-8-7-15-13(18-8)10(3)17-12-5-4-11(6-14)9(2)16-12/h4-5,7,10H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyLQJFYFATFYTBGK-JTQLQIEISA-N
XLogP3.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
CID 133337280
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 115733686
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 113387312
6-(tert-butylamino)-2-methylpyridine-3-carbonitrile
CID 102546520
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
6-(ethylamino)-2-methylpyridine-3-carbonitrile
CID 126981851
2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 113387604
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133337181
(2R)-2-[(5-cyano-6-methyl-2-pyridinyl)amino]butanedioic acid
CID 166401672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile (CID 164631807) is 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile is Cc1cnc([C@H](C)Nc2ccc(C#N)c(C)n2)s1.
What is the InChIKey of 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is LQJFYFATFYTBGK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-7-15-13(18-8)10(3)17-12-5-4-11(6-14)9(2)16-12/h4-5,7,10H,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile?
2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 164631807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).