3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile

C11H11N5S — CID 103379514

IUPAC3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCN(Cc1cccnc1)c1snc(N)c1C#N
InChIInChI=1S/C11H11N5S/c1-16(7-8-3-2-4-14-6-8)11-9(5-12)10(13)15-17-11/h2-4,6H,7H2,1H3,(H2,13,15)
InChIKeyXJOZLGYVRONHDK-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.63
Rot. Bonds3

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

3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103379514) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103379514
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCN(Cc1cccnc1)c1snc(N)c1C#N
InChIInChI=1S/C11H11N5S/c1-16(7-8-3-2-4-14-6-8)11-9(5-12)10(13)15-17-11/h2-4,6H,7H2,1H3,(H2,13,15)
InChIKeyXJOZLGYVRONHDK-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-amino-5-[methyl(thiophen-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379420
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103509183
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]thiophene-2-carbonitrile
CID 103509196
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509190
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile
CID 169151886
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile (CID 103379514) is 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile is CN(Cc1cccnc1)c1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is XJOZLGYVRONHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-16(7-8-3-2-4-14-6-8)11-9(5-12)10(13)15-17-11/h2-4,6H,7H2,1H3,(H2,13,15).
What are the key properties of 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-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 3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).