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

C15H8BrFN4S — CID 991133

IUPAC3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nn3c(-c4ccc(Br)cc4)nnc3s2)cc1
InChIInChI=1S/C15H8BrFN4S/c16-11-5-1-9(2-6-11)13-18-19-15-21(13)20-14(22-15)10-3-7-12(17)8-4-10/h1-8H
InChIKeyCYZKBSJULOUSAQ-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.42
Rot. Bonds2

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

3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 991133) has the molecular formula C15H8BrFN4S and a molecular weight of 375.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID991133
Molecular FormulaC15H8BrFN4S
Molecular Weight375.23 g/mol
Exact Mass373.96
IUPAC Name3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nn3c(-c4ccc(Br)cc4)nnc3s2)cc1
InChIInChI=1S/C15H8BrFN4S/c16-11-5-1-9(2-6-11)13-18-19-15-21(13)20-14(22-15)10-3-7-12(17)8-4-10/h1-8H
InChIKeyCYZKBSJULOUSAQ-UHFFFAOYSA-N
XLogP4.42
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromophenyl)-6-(4-fluorophenyl)-[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 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 991133) is 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(-c2nn3c(-c4ccc(Br)cc4)nnc3s2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CYZKBSJULOUSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN4S/c16-11-5-1-9(2-6-11)13-18-19-15-21(13)20-14(22-15)10-3-7-12(17)8-4-10/h1-8H.
What are the key properties of 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 375.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 991133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).