6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H14N4S — CID 663443

IUPAC6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1
InChIInChI=1S/C17H14N4S/c1-11-6-5-8-13(10-11)15-18-19-17-21(15)20-16(22-17)14-9-4-3-7-12(14)2/h3-10H,1-2H3
InChIKeyLMAZXSRXTMOVNW-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.14
Rot. Bonds2

About 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 663443) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID663443
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1
InChIInChI=1S/C17H14N4S/c1-11-6-5-8-13(10-11)15-18-19-17-21(15)20-16(22-17)14-9-4-3-7-12(14)2/h3-10H,1-2H3
InChIKeyLMAZXSRXTMOVNW-UHFFFAOYSA-N
XLogP4.14
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 663443) is 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1.
What is the InChIKey of 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LMAZXSRXTMOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-11-6-5-8-13(10-11)15-18-19-17-21(15)20-16(22-17)14-9-4-3-7-12(14)2/h3-10H,1-2H3.
What are the key properties of 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 306.39 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 663443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).