3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile

C12H13N5S — CID 106036110

IUPAC3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESCc1nc(CCNc2ccc(N)c(C#N)n2)cs1
InChIInChI=1S/C12H13N5S/c1-8-16-9(7-18-8)4-5-15-12-3-2-10(14)11(6-13)17-12/h2-3,7H,4-5,14H2,1H3,(H,15,17)
InChIKeyPYKLIDKWOKZZKS-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.96
Rot. Bonds4

About 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile

3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 106036110) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID106036110
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESCc1nc(CCNc2ccc(N)c(C#N)n2)cs1
InChIInChI=1S/C12H13N5S/c1-8-16-9(7-18-8)4-5-15-12-3-2-10(14)11(6-13)17-12/h2-3,7H,4-5,14H2,1H3,(H,15,17)
InChIKeyPYKLIDKWOKZZKS-UHFFFAOYSA-N
XLogP1.96
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106040897
3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103468827
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
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2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 114139225
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine
CID 106041685
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
CID 114139063
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile (CID 106036110) is 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile is Cc1nc(CCNc2ccc(N)c(C#N)n2)cs1.
What is the InChIKey of 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is PYKLIDKWOKZZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-16-9(7-18-8)4-5-15-12-3-2-10(14)11(6-13)17-12/h2-3,7H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 106036110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).