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

C15H14N4S2 — CID 660914

IUPAC2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESCCCCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
InChIInChI=1S/C15H14N4S2/c1-2-3-6-21-15-11(9-17)13(12-5-4-7-20-12)10(8-16)14(18)19-15/h4-5,7H,2-3,6H2,1H3,(H2,18,19)
InChIKeyGXEDYTAITJVCFK-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.03
Rot. Bonds5

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

2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 660914) has the molecular formula C15H14N4S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID660914
Molecular FormulaC15H14N4S2
Molecular Weight314.44 g/mol
Exact Mass314.07
IUPAC Name2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESCCCCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
InChIInChI=1S/C15H14N4S2/c1-2-3-6-21-15-11(9-17)13(12-5-4-7-20-12)10(8-16)14(18)19-15/h4-5,7H,2-3,6H2,1H3,(H2,18,19)
InChIKeyGXEDYTAITJVCFK-UHFFFAOYSA-N
XLogP4.03
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 660914) is 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is CCCCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N.
What is the InChIKey of 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is GXEDYTAITJVCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S2/c1-2-3-6-21-15-11(9-17)13(12-5-4-7-20-12)10(8-16)14(18)19-15/h4-5,7H,2-3,6H2,1H3,(H2,18,19).
What are the key properties of 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 314.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butylsulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 660914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).