3-N-phenyl-1-benzothiophene-2,3-diamine

C14H12N2S — CID 86709236

IUPAC3-N-phenyl-1-benzothiophene-2,3-diamine
SMILESNc1sc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C14H12N2S/c15-14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,16H,15H2
InChIKeyIAHAWLJXTRFHOW-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.23
Rot. Bonds2

About 3-N-phenyl-1-benzothiophene-2,3-diamine

3-N-phenyl-1-benzothiophene-2,3-diamine (PubChem CID 86709236) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-N-phenyl-1-benzothiophene-2,3-diamine.

Molecular Properties

Compound Name3-N-phenyl-1-benzothiophene-2,3-diamine
PubChem CID86709236
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name3-N-phenyl-1-benzothiophene-2,3-diamine
SMILESNc1sc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C14H12N2S/c15-14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,16H,15H2
InChIKeyIAHAWLJXTRFHOW-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-phenyl-1-benzothiophene-2,3-diamine 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 3-N-phenyl-1-benzothiophene-2,3-diamine?
The IUPAC name of 3-N-phenyl-1-benzothiophene-2,3-diamine (CID 86709236) is 3-N-phenyl-1-benzothiophene-2,3-diamine.
What is the SMILES notation for 3-N-phenyl-1-benzothiophene-2,3-diamine?
The canonical SMILES for 3-N-phenyl-1-benzothiophene-2,3-diamine is Nc1sc2ccccc2c1Nc1ccccc1.
What is the InChIKey of 3-N-phenyl-1-benzothiophene-2,3-diamine?
The InChIKey is IAHAWLJXTRFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-14-13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,16H,15H2.
What are the key properties of 3-N-phenyl-1-benzothiophene-2,3-diamine?
3-N-phenyl-1-benzothiophene-2,3-diamine has a molecular weight of 240.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1-benzothiophene-2,3-diamine is sourced from PubChem (CID 86709236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).