N-[(Z)-1-thiophen-2-ylethylideneamino]aniline

C12H12N2S — CID 6371707

IUPACN-[(Z)-1-thiophen-2-ylethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H12N2S/c1-10(12-8-5-9-15-12)13-14-11-6-3-2-4-7-11/h2-9,14H,1H3/b13-10-
InChIKeyQWAZWODLXPIHLO-RAXLEYEMSA-N
MW216.31 g/mol
LogP3.58
Rot. Bonds3

About N-[(Z)-1-thiophen-2-ylethylideneamino]aniline

N-[(Z)-1-thiophen-2-ylethylideneamino]aniline (PubChem CID 6371707) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-[(Z)-1-thiophen-2-ylethylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-1-thiophen-2-ylethylideneamino]aniline
PubChem CID6371707
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC NameN-[(Z)-1-thiophen-2-ylethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H12N2S/c1-10(12-8-5-9-15-12)13-14-11-6-3-2-4-7-11/h2-9,14H,1H3/b13-10-
InChIKeyQWAZWODLXPIHLO-RAXLEYEMSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
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-[(Z)-1-thiophen-2-ylethylideneamino]aniline?
The IUPAC name of N-[(Z)-1-thiophen-2-ylethylideneamino]aniline (CID 6371707) is N-[(Z)-1-thiophen-2-ylethylideneamino]aniline.
What is the SMILES notation for N-[(Z)-1-thiophen-2-ylethylideneamino]aniline?
The canonical SMILES for N-[(Z)-1-thiophen-2-ylethylideneamino]aniline is C/C(=N/Nc1ccccc1)c1cccs1.
What is the InChIKey of N-[(Z)-1-thiophen-2-ylethylideneamino]aniline?
The InChIKey is QWAZWODLXPIHLO-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H12N2S/c1-10(12-8-5-9-15-12)13-14-11-6-3-2-4-7-11/h2-9,14H,1H3/b13-10-.
What are the key properties of N-[(Z)-1-thiophen-2-ylethylideneamino]aniline?
N-[(Z)-1-thiophen-2-ylethylideneamino]aniline has a molecular weight of 216.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-thiophen-2-ylethylideneamino]aniline is sourced from PubChem (CID 6371707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).