3-benzylimino-1-thiophen-2-ylpropan-1-one

C14H13NOS — CID 7449229

IUPAC3-benzylimino-1-thiophen-2-ylpropan-1-one
SMILESO=C(C/C=N/Cc1ccccc1)c1cccs1
InChIInChI=1S/C14H13NOS/c16-13(14-7-4-10-17-14)8-9-15-11-12-5-2-1-3-6-12/h1-7,9-10H,8,11H2/b15-9+
InChIKeyBSXLAZMPXAVPIO-OQLLNIDSSA-N
MW243.33 g/mol
LogP3.59
Rot. Bonds5

About 3-benzylimino-1-thiophen-2-ylpropan-1-one

3-benzylimino-1-thiophen-2-ylpropan-1-one (PubChem CID 7449229) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-benzylimino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-benzylimino-1-thiophen-2-ylpropan-1-one
PubChem CID7449229
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3-benzylimino-1-thiophen-2-ylpropan-1-one
SMILESO=C(C/C=N/Cc1ccccc1)c1cccs1
InChIInChI=1S/C14H13NOS/c16-13(14-7-4-10-17-14)8-9-15-11-12-5-2-1-3-6-12/h1-7,9-10H,8,11H2/b15-9+
InChIKeyBSXLAZMPXAVPIO-OQLLNIDSSA-N
XLogP3.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-benzylimino-1-thiophen-2-ylpropan-1-one 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-benzylimino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-benzylimino-1-thiophen-2-ylpropan-1-one (CID 7449229) is 3-benzylimino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-benzylimino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-benzylimino-1-thiophen-2-ylpropan-1-one is O=C(C/C=N/Cc1ccccc1)c1cccs1.
What is the InChIKey of 3-benzylimino-1-thiophen-2-ylpropan-1-one?
The InChIKey is BSXLAZMPXAVPIO-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NOS/c16-13(14-7-4-10-17-14)8-9-15-11-12-5-2-1-3-6-12/h1-7,9-10H,8,11H2/b15-9+.
What are the key properties of 3-benzylimino-1-thiophen-2-ylpropan-1-one?
3-benzylimino-1-thiophen-2-ylpropan-1-one has a molecular weight of 243.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 7449229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).