2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile

C13H12N2S — CID 592200

IUPAC2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile
SMILESCCc1c(-c2ccccc2)sc(N)c1C#N
InChIInChI=1S/C13H12N2S/c1-2-10-11(8-14)13(15)16-12(10)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3
InChIKeySFGFCVQZCVFHMY-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.43
Rot. Bonds2

About 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile

2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile (PubChem CID 592200) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile
PubChem CID592200
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile
SMILESCCc1c(-c2ccccc2)sc(N)c1C#N
InChIInChI=1S/C13H12N2S/c1-2-10-11(8-14)13(15)16-12(10)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3
InChIKeySFGFCVQZCVFHMY-UHFFFAOYSA-N
XLogP3.43
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-ethyl-5-phenylthiophene-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 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile (CID 592200) is 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile is CCc1c(-c2ccccc2)sc(N)c1C#N.
What is the InChIKey of 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile?
The InChIKey is SFGFCVQZCVFHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-10-11(8-14)13(15)16-12(10)9-6-4-3-5-7-9/h3-7H,2,15H2,1H3.
What are the key properties of 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile?
2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile has a molecular weight of 228.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-5-phenylthiophene-3-carbonitrile is sourced from PubChem (CID 592200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).