[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine

C18H14N2S — CID 144816255

IUPAC[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine
SMILES[H]/N=C(\c1cscc1N=C)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14N2S/c1-20-17-12-21-11-16(17)18(19)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12,19H,1H2/b19-18-
InChIKeyGMOAYUKDIQXKQV-HNENSFHCSA-N
MW290.39 g/mol
LogP5.16
Rot. Bonds4

About [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine

[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine (PubChem CID 144816255) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine.

Molecular Properties

Compound Name[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine
PubChem CID144816255
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine
SMILES[H]/N=C(\c1cscc1N=C)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14N2S/c1-20-17-12-21-11-16(17)18(19)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12,19H,1H2/b19-18-
InChIKeyGMOAYUKDIQXKQV-HNENSFHCSA-N
XLogP5.16
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine 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 [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine?
The IUPAC name of [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine (CID 144816255) is [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine.
What is the SMILES notation for [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine?
The canonical SMILES for [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine is [H]/N=C(\c1cscc1N=C)c1ccccc1-c1ccccc1.
What is the InChIKey of [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine?
The InChIKey is GMOAYUKDIQXKQV-HNENSFHCSA-N. The full InChI is InChI=1S/C18H14N2S/c1-20-17-12-21-11-16(17)18(19)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12,19H,1H2/b19-18-.
What are the key properties of [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine?
[4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine has a molecular weight of 290.39 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylideneamino)thiophen-3-yl]-(2-phenylphenyl)methanimine is sourced from PubChem (CID 144816255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).