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

C13H10N4OS2 — CID 155533519

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccsc1
InChIInChI=1S/C13H10N4OS2/c14-5-9-11(8-1-3-19-7-8)10(6-15)13(17-12(9)16)20-4-2-18/h1,3,7,18H,2,4H2,(H2,16,17)
InChIKeyKPJKMCJYSUUBDG-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.22
Rot. Bonds4

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (PubChem CID 155533519) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
PubChem CID155533519
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccsc1
InChIInChI=1S/C13H10N4OS2/c14-5-9-11(8-1-3-19-7-8)10(6-15)13(17-12(9)16)20-4-2-18/h1,3,7,18H,2,4H2,(H2,16,17)
InChIKeyKPJKMCJYSUUBDG-UHFFFAOYSA-N
XLogP2.22
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (CID 155533519) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccsc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The InChIKey is KPJKMCJYSUUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c14-5-9-11(8-1-3-19-7-8)10(6-15)13(17-12(9)16)20-4-2-18/h1,3,7,18H,2,4H2,(H2,16,17).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile has a molecular weight of 302.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155533519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).