2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

C17H11N5S2 — CID 658085

IUPAC2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H11N5S2/c18-8-12-15(14-5-3-7-23-14)13(9-19)17(22-16(12)20)24-10-11-4-1-2-6-21-11/h1-7H,10H2,(H2,20,22)
InChIKeyHLHWHASXYPVRIC-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.82
Rot. Bonds4

About 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 658085) has the molecular formula C17H11N5S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID658085
Molecular FormulaC17H11N5S2
Molecular Weight349.44 g/mol
Exact Mass349.05
IUPAC Name2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H11N5S2/c18-8-12-15(14-5-3-7-23-14)13(9-19)17(22-16(12)20)24-10-11-4-1-2-6-21-11/h1-7H,10H2,(H2,20,22)
InChIKeyHLHWHASXYPVRIC-UHFFFAOYSA-N
XLogP3.82
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 658085) is 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is HLHWHASXYPVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S2/c18-8-12-15(14-5-3-7-23-14)13(9-19)17(22-16(12)20)24-10-11-4-1-2-6-21-11/h1-7H,10H2,(H2,20,22).
What are the key properties of 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 349.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(pyridin-2-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 658085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).