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

C11H11N5S — CID 55013948

IUPAC5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1cscn1)c1ncc(N)cc1C#N
InChIInChI=1S/C11H11N5S/c1-16(5-10-6-17-7-15-10)11-8(3-12)2-9(13)4-14-11/h2,4,6-7H,5,13H2,1H3
InChIKeyYXXIPKQUNWVPBZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.63
Rot. Bonds3

About 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile

5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 55013948) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID55013948
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(Cc1cscn1)c1ncc(N)cc1C#N
InChIInChI=1S/C11H11N5S/c1-16(5-10-6-17-7-15-10)11-8(3-12)2-9(13)4-14-11/h2,4,6-7H,5,13H2,1H3
InChIKeyYXXIPKQUNWVPBZ-UHFFFAOYSA-N
XLogP1.63
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80510270
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 63831128
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzonitrile
CID 107106729
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914216
5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61431773
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 47984172

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile (CID 55013948) is 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile is CN(Cc1cscn1)c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is YXXIPKQUNWVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-16(5-10-6-17-7-15-10)11-8(3-12)2-9(13)4-14-11/h2,4,6-7H,5,13H2,1H3.
What are the key properties of 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile?
5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 55013948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).