N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline

C17H14N2S — CID 70556050

IUPACN-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H14N2S/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)18-14-17-12-7-13-20-17/h1-14H
InChIKeyQIOIMKMZPPBYCP-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.92
Rot. Bonds4

About N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline

N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline (PubChem CID 70556050) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
PubChem CID70556050
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC NameN-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H14N2S/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)18-14-17-12-7-13-20-17/h1-14H
InChIKeyQIOIMKMZPPBYCP-UHFFFAOYSA-N
XLogP4.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline?
The IUPAC name of N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline (CID 70556050) is N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline.
What is the SMILES notation for N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline?
The canonical SMILES for N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline is C(=NN(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline?
The InChIKey is QIOIMKMZPPBYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)18-14-17-12-7-13-20-17/h1-14H.
What are the key properties of N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline?
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline has a molecular weight of 278.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline is sourced from PubChem (CID 70556050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).