4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole

C16H15NS — CID 14937784

IUPAC4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESc1ccc(CC2CSC(c3ccccc3)=N2)cc1
InChIInChI=1S/C16H15NS/c1-3-7-13(8-4-1)11-15-12-18-16(17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyBTMOEJUPFOAUNA-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.79
Rot. Bonds3

About 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole

4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 14937784) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID14937784
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESc1ccc(CC2CSC(c3ccccc3)=N2)cc1
InChIInChI=1S/C16H15NS/c1-3-7-13(8-4-1)11-15-12-18-16(17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyBTMOEJUPFOAUNA-UHFFFAOYSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2-phenyl-4,5-dihydro-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-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole (CID 14937784) is 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole is c1ccc(CC2CSC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is BTMOEJUPFOAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-3-7-13(8-4-1)11-15-12-18-16(17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole?
4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 253.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 14937784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).