5-(dimethylamino)-4-phenylthiophene-2-carbonitrile

C13H12N2S — CID 1482466

IUPAC5-(dimethylamino)-4-phenylthiophene-2-carbonitrile
SMILESCN(C)c1sc(C#N)cc1-c1ccccc1
InChIInChI=1S/C13H12N2S/c1-15(2)13-12(8-11(9-14)16-13)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyCMVLEJBXUUJMCN-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.35
Rot. Bonds2

About 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile

5-(dimethylamino)-4-phenylthiophene-2-carbonitrile (PubChem CID 1482466) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-4-phenylthiophene-2-carbonitrile
PubChem CID1482466
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name5-(dimethylamino)-4-phenylthiophene-2-carbonitrile
SMILESCN(C)c1sc(C#N)cc1-c1ccccc1
InChIInChI=1S/C13H12N2S/c1-15(2)13-12(8-11(9-14)16-13)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyCMVLEJBXUUJMCN-UHFFFAOYSA-N
XLogP3.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(dimethylamino)-4-phenylthiophene-2-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-(dimethylamino)-4-phenylthiophene-2-carbonitrile?
The IUPAC name of 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile (CID 1482466) is 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile is CN(C)c1sc(C#N)cc1-c1ccccc1.
What is the InChIKey of 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile?
The InChIKey is CMVLEJBXUUJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-15(2)13-12(8-11(9-14)16-13)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile?
5-(dimethylamino)-4-phenylthiophene-2-carbonitrile has a molecular weight of 228.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-phenylthiophene-2-carbonitrile is sourced from PubChem (CID 1482466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).