4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

C15H13N3S2 — CID 6284665

IUPAC4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)cs1)c1cccs1
InChIInChI=1S/C15H13N3S2/c1-11(14-8-5-9-19-14)17-18-15-16-13(10-20-15)12-6-3-2-4-7-12/h2-10H,1H3,(H,16,18)/b17-11+
InChIKeyKEPULMVYCWUGHG-GZTJUZNOSA-N
MW299.42 g/mol
LogP4.71
Rot. Bonds4

About 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6284665) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID6284665
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)cs1)c1cccs1
InChIInChI=1S/C15H13N3S2/c1-11(14-8-5-9-19-14)17-18-15-16-13(10-20-15)12-6-3-2-4-7-12/h2-10H,1H3,(H,16,18)/b17-11+
InChIKeyKEPULMVYCWUGHG-GZTJUZNOSA-N
XLogP4.71
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine 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 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 6284665) is 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccccc2)cs1)c1cccs1.
What is the InChIKey of 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KEPULMVYCWUGHG-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-11(14-8-5-9-19-14)17-18-15-16-13(10-20-15)12-6-3-2-4-7-12/h2-10H,1H3,(H,16,18)/b17-11+.
What are the key properties of 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 299.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6284665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).