2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile

C20H16N2S2 — CID 681158

IUPAC2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESC=C(C)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C20H16N2S2/c1-14(2)13-24-20-17(12-21)16(19-9-6-10-23-19)11-18(22-20)15-7-4-3-5-8-15/h3-11H,1,13H2,2H3
InChIKeyHGOOQPFGDIVMOP-UHFFFAOYSA-N
MW348.50 g/mol
LogP6.02
Rot. Bonds5

About 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile

2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 681158) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID681158
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC Name2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESC=C(C)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N
InChIInChI=1S/C20H16N2S2/c1-14(2)13-24-20-17(12-21)16(19-9-6-10-23-19)11-18(22-20)15-7-4-3-5-8-15/h3-11H,1,13H2,2H3
InChIKeyHGOOQPFGDIVMOP-UHFFFAOYSA-N
XLogP6.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 1010503
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 168859889
ethyl 2-[[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 23249049
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-cyclopentylacetamide
CID 1004504
2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
CID 627201
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1253037
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
CID 145153614
CID 145153614
2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 681158) is 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is C=C(C)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is HGOOQPFGDIVMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-14(2)13-24-20-17(12-21)16(19-9-6-10-23-19)11-18(22-20)15-7-4-3-5-8-15/h3-11H,1,13H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 348.50 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 681158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).