4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

C15H12N4S — CID 5344592

IUPAC4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1cccnc1
InChIInChI=1S/C15H12N4S/c1-2-6-13(7-3-1)14-11-20-15(18-14)19-17-10-12-5-4-8-16-9-12/h1-11H,(H,18,19)/b17-10+
InChIKeyNKKVRRKNFUAEDW-LICLKQGHSA-N
MW280.36 g/mol
LogP3.65
Rot. Bonds4

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

4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 5344592) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID5344592
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1cccnc1
InChIInChI=1S/C15H12N4S/c1-2-6-13(7-3-1)14-11-20-15(18-14)19-17-10-12-5-4-8-16-9-12/h1-11H,(H,18,19)/b17-10+
InChIKeyNKKVRRKNFUAEDW-LICLKQGHSA-N
XLogP3.65
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.65
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)-pyridin-3-ylmethylideneamino]-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)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (CID 5344592) is 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is C(=N/Nc1nc(-c2ccccc2)cs1)\c1cccnc1.
What is the InChIKey of 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is NKKVRRKNFUAEDW-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N4S/c1-2-6-13(7-3-1)14-11-20-15(18-14)19-17-10-12-5-4-8-16-9-12/h1-11H,(H,18,19)/b17-10+.
What are the key properties of 4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.65, 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)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5344592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).