3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C17H13N3S — CID 86260022

IUPAC3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(Cc2nnc3scc(-c4ccccc4)n23)cc1
InChIInChI=1S/C17H13N3S/c1-3-7-13(8-4-1)11-16-18-19-17-20(16)15(12-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyRKLSOVWNJMUZOE-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.05
Rot. Bonds3

About 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 86260022) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID86260022
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(Cc2nnc3scc(-c4ccccc4)n23)cc1
InChIInChI=1S/C17H13N3S/c1-3-7-13(8-4-1)11-16-18-19-17-20(16)15(12-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyRKLSOVWNJMUZOE-UHFFFAOYSA-N
XLogP4.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole 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-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 86260022) is 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is c1ccc(Cc2nnc3scc(-c4ccccc4)n23)cc1.
What is the InChIKey of 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is RKLSOVWNJMUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-3-7-13(8-4-1)11-16-18-19-17-20(16)15(12-21-17)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 291.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 86260022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).