6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C12H12N2OS2 — CID 2854824

IUPAC6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCSC1=C(C#N)C(c2sccc2C)CC(=O)N1
InChIInChI=1S/C12H12N2OS2/c1-7-3-4-17-11(7)8-5-10(15)14-12(16-2)9(8)6-13/h3-4,8H,5H2,1-2H3,(H,14,15)
InChIKeyLEZRZQWCQCVNNC-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.76
Rot. Bonds2

About 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2854824) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2854824
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCSC1=C(C#N)C(c2sccc2C)CC(=O)N1
InChIInChI=1S/C12H12N2OS2/c1-7-3-4-17-11(7)8-5-10(15)14-12(16-2)9(8)6-13/h3-4,8H,5H2,1-2H3,(H,14,15)
InChIKeyLEZRZQWCQCVNNC-UHFFFAOYSA-N
XLogP2.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2854824) is 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CSC1=C(C#N)C(c2sccc2C)CC(=O)N1.
What is the InChIKey of 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is LEZRZQWCQCVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-7-3-4-17-11(7)8-5-10(15)14-12(16-2)9(8)6-13/h3-4,8H,5H2,1-2H3,(H,14,15).
What are the key properties of 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 264.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2854824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).