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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Piperidinyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726260
2-Amino-4,6-di(2-thienyl)nicotinonitrile
CID 2817024
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
1-(5'-Cyano-4-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridin-6-yl)-3-ethylurea
CID 44205421
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-pyridin-3-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 662367
6-Amino-4-(thiophen-2-yl)-2,2'-bipyridine-5-carbonitrile
CID 665499
2-(Pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 947049
N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
CID 46182714
2-Amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 660289
2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 1086290

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).