4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole

C15H12N2S — CID 31263387

IUPAC4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-2-6-12(7-3-1)14-11-18-15(17-14)10-13-8-4-5-9-16-13/h1-9,11H,10H2
InChIKeyAMXMQZSHPQIVRO-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.80
Rot. Bonds3

About 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole

4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole (PubChem CID 31263387) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
PubChem CID31263387
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-2-6-12(7-3-1)14-11-18-15(17-14)10-13-8-4-5-9-16-13/h1-9,11H,10H2
InChIKeyAMXMQZSHPQIVRO-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole 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-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole (CID 31263387) is 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole is c1ccc(-c2csc(Cc3ccccn3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The InChIKey is AMXMQZSHPQIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-6-12(7-3-1)14-11-18-15(17-14)10-13-8-4-5-9-16-13/h1-9,11H,10H2.
What are the key properties of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole has a molecular weight of 252.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 31263387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).