2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile

C15H12N2OS2 — CID 657957

IUPAC2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile
SMILESCC1(c2cccs2)CC(c2cccs2)=C(C#N)C(=O)N1
InChIInChI=1S/C15H12N2OS2/c1-15(13-5-3-7-20-13)8-10(12-4-2-6-19-12)11(9-16)14(18)17-15/h2-7H,8H2,1H3,(H,17,18)
InChIKeyJIMJVNSBQCIKRZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.52
Rot. Bonds2

About 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile

2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile (PubChem CID 657957) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile
PubChem CID657957
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile
SMILESCC1(c2cccs2)CC(c2cccs2)=C(C#N)C(=O)N1
InChIInChI=1S/C15H12N2OS2/c1-15(13-5-3-7-20-13)8-10(12-4-2-6-19-12)11(9-16)14(18)17-15/h2-7H,8H2,1H3,(H,17,18)
InChIKeyJIMJVNSBQCIKRZ-UHFFFAOYSA-N
XLogP3.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile (CID 657957) is 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile is CC1(c2cccs2)CC(c2cccs2)=C(C#N)C(=O)N1.
What is the InChIKey of 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is JIMJVNSBQCIKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-15(13-5-3-7-20-13)8-10(12-4-2-6-19-12)11(9-16)14(18)17-15/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile?
2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-2,4-dithiophen-2-yl-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 657957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).