1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine

C19H15NS — CID 10517552

IUPAC1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine
SMILESC(=C(\N=C\c1ccccc1)c1cccs1)\c1ccccc1
InChIInChI=1S/C19H15NS/c1-3-8-16(9-4-1)14-18(19-12-7-13-21-19)20-15-17-10-5-2-6-11-17/h1-15H/b18-14-,20-15+
InChIKeyCVNOWKGFFMDEMB-FTUXADHQSA-N
MW289.40 g/mol
LogP5.37
Rot. Bonds4

About 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine

1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine (PubChem CID 10517552) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine.

Molecular Properties

Compound Name1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine
PubChem CID10517552
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine
SMILESC(=C(\N=C\c1ccccc1)c1cccs1)\c1ccccc1
InChIInChI=1S/C19H15NS/c1-3-8-16(9-4-1)14-18(19-12-7-13-21-19)20-15-17-10-5-2-6-11-17/h1-15H/b18-14-,20-15+
InChIKeyCVNOWKGFFMDEMB-FTUXADHQSA-N
XLogP5.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine?
The IUPAC name of 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine (CID 10517552) is 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine.
What is the SMILES notation for 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine?
The canonical SMILES for 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine is C(=C(\N=C\c1ccccc1)c1cccs1)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine?
The InChIKey is CVNOWKGFFMDEMB-FTUXADHQSA-N. The full InChI is InChI=1S/C19H15NS/c1-3-8-16(9-4-1)14-18(19-12-7-13-21-19)20-15-17-10-5-2-6-11-17/h1-15H/b18-14-,20-15+.
What are the key properties of 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine?
1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine has a molecular weight of 289.40 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine is sourced from PubChem (CID 10517552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).