2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

C19H14N4S2 — CID 1201836

IUPAC2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESCc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1
InChIInChI=1S/C19H14N4S2/c1-12-4-2-5-13(8-12)11-25-19-15(10-21)17(16-6-3-7-24-16)14(9-20)18(22)23-19/h2-8H,11H2,1H3,(H2,22,23)
InChIKeyIQEAIXDYKIYSCN-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.74
Rot. Bonds4

About 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 1201836) has the molecular formula C19H14N4S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID1201836
Molecular FormulaC19H14N4S2
Molecular Weight362.48 g/mol
Exact Mass362.07
IUPAC Name2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESCc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1
InChIInChI=1S/C19H14N4S2/c1-12-4-2-5-13(8-12)11-25-19-15(10-21)17(16-6-3-7-24-16)14(9-20)18(22)23-19/h2-8H,11H2,1H3,(H2,22,23)
InChIKeyIQEAIXDYKIYSCN-UHFFFAOYSA-N
XLogP4.74
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 1201836) is 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is Cc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1.
What is the InChIKey of 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is IQEAIXDYKIYSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4S2/c1-12-4-2-5-13(8-12)11-25-19-15(10-21)17(16-6-3-7-24-16)14(9-20)18(22)23-19/h2-8H,11H2,1H3,(H2,22,23).
What are the key properties of 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 362.48 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1201836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).