5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile

C16H16N2OS2 — CID 2306393

IUPAC5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
SMILESCCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C
InChIInChI=1S/C16H16N2OS2/c1-4-12-10(2)13(8-17)16(18-11(12)3)21-9-14(19)15-6-5-7-20-15/h5-7H,4,9H2,1-3H3
InChIKeyCGPWPWUTUZQROJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.17
Rot. Bonds5

About 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile

5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile (PubChem CID 2306393) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
PubChem CID2306393
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
SMILESCCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C
InChIInChI=1S/C16H16N2OS2/c1-4-12-10(2)13(8-17)16(18-11(12)3)21-9-14(19)15-6-5-7-20-15/h5-7H,4,9H2,1-3H3
InChIKeyCGPWPWUTUZQROJ-UHFFFAOYSA-N
XLogP4.17
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile (CID 2306393) is 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile is CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C.
What is the InChIKey of 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is CGPWPWUTUZQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-4-12-10(2)13(8-17)16(18-11(12)3)21-9-14(19)15-6-5-7-20-15/h5-7H,4,9H2,1-3H3.
What are the key properties of 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 316.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2306393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).