2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile

C19H12N4OS2 — CID 46838966

IUPAC2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccsc1
InChIInChI=1S/C19H12N4OS2/c20-8-14-17(13-6-7-25-10-13)15(9-21)19(23-18(14)22)26-11-16(24)12-4-2-1-3-5-12/h1-7,10H,11H2,(H2,22,23)
InChIKeyARMHOYQEFMZUND-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.11
Rot. Bonds5

About 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile

2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (PubChem CID 46838966) has the molecular formula C19H12N4OS2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
PubChem CID46838966
Molecular FormulaC19H12N4OS2
Molecular Weight376.47 g/mol
Exact Mass376.05
IUPAC Name2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccsc1
InChIInChI=1S/C19H12N4OS2/c20-8-14-17(13-6-7-25-10-13)15(9-21)19(23-18(14)22)26-11-16(24)12-4-2-1-3-5-12/h1-7,10H,11H2,(H2,22,23)
InChIKeyARMHOYQEFMZUND-UHFFFAOYSA-N
XLogP4.11
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (CID 46838966) is 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccsc1.
What is the InChIKey of 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The InChIKey is ARMHOYQEFMZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4OS2/c20-8-14-17(13-6-7-25-10-13)15(9-21)19(23-18(14)22)26-11-16(24)12-4-2-1-3-5-12/h1-7,10H,11H2,(H2,22,23).
What are the key properties of 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile has a molecular weight of 376.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenacylsulfanyl-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 46838966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).