3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide

C12H11N3OS — CID 6905217

IUPAC3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide
SMILESNc1cccc(C(=O)N/N=C/c2ccsc2)c1
InChIInChI=1S/C12H11N3OS/c13-11-3-1-2-10(6-11)12(16)15-14-7-9-4-5-17-8-9/h1-8H,13H2,(H,15,16)/b14-7+
InChIKeyOXRBVTMDOVKZDB-VGOFMYFVSA-N
MW245.31 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide

3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide (PubChem CID 6905217) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide
PubChem CID6905217
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide
SMILESNc1cccc(C(=O)N/N=C/c2ccsc2)c1
InChIInChI=1S/C12H11N3OS/c13-11-3-1-2-10(6-11)12(16)15-14-7-9-4-5-17-8-9/h1-8H,13H2,(H,15,16)/b14-7+
InChIKeyOXRBVTMDOVKZDB-VGOFMYFVSA-N
XLogP2.09
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide 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 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide (CID 6905217) is 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide is Nc1cccc(C(=O)N/N=C/c2ccsc2)c1.
What is the InChIKey of 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
The InChIKey is OXRBVTMDOVKZDB-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-11-3-1-2-10(6-11)12(16)15-14-7-9-4-5-17-8-9/h1-8H,13H2,(H,15,16)/b14-7+.
What are the key properties of 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide?
3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide has a molecular weight of 245.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(E)-thiophen-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6905217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).