3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C12H12N4S — CID 62921108

IUPAC3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1cscn1)Cc1cccnc1C#N
InChIInChI=1S/C12H12N4S/c1-16(7-11-8-17-9-15-11)6-10-3-2-4-14-12(10)5-13/h2-4,8-9H,6-7H2,1H3
InChIKeyLZWNNCCQZILREX-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.04
Rot. Bonds4

About 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile

3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 62921108) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID62921108
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1cscn1)Cc1cccnc1C#N
InChIInChI=1S/C12H12N4S/c1-16(7-11-8-17-9-15-11)6-10-3-2-4-14-12(10)5-13/h2-4,8-9H,6-7H2,1H3
InChIKeyLZWNNCCQZILREX-UHFFFAOYSA-N
XLogP2.04
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 47984172
[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine
CID 62895863
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900
3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62895109
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
3-[2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 55012118
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282140
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 115317894

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 62921108) is 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile is CN(Cc1cscn1)Cc1cccnc1C#N.
What is the InChIKey of 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is LZWNNCCQZILREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-16(7-11-8-17-9-15-11)6-10-3-2-4-14-12(10)5-13/h2-4,8-9H,6-7H2,1H3.
What are the key properties of 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62921108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).