(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C13H10N4S — CID 176515678

IUPAC(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H10N4S/c1-2-13(18-7-1)12-5-3-11(4-6-12)8-16-17-9-14-15-10-17/h1-10H/b16-8+
InChIKeyWMBKJYDTIRRMSC-LZYBPNLTSA-N
MW254.32 g/mol
LogP2.89
Rot. Bonds3

About (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 176515678) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID176515678
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H10N4S/c1-2-13(18-7-1)12-5-3-11(4-6-12)8-16-17-9-14-15-10-17/h1-10H/b16-8+
InChIKeyWMBKJYDTIRRMSC-LZYBPNLTSA-N
XLogP2.89
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)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 (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 176515678) is (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccc(-c2cccs2)cc1.
What is the InChIKey of (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is WMBKJYDTIRRMSC-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-13(18-7-1)12-5-3-11(4-6-12)8-16-17-9-14-15-10-17/h1-10H/b16-8+.
What are the key properties of (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 254.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 176515678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).