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

C15H6F4N4S — CID 42569136

IUPAC3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c1F
InChIInChI=1S/C15H6F4N4S/c16-9-5-1-3-7(11(9)18)13-20-21-15-23(13)22-14(24-15)8-4-2-6-10(17)12(8)19/h1-6H
InChIKeyPXLMHFBZULFXID-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.08
Rot. Bonds2

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

3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 42569136) has the molecular formula C15H6F4N4S and a molecular weight of 350.30 g/mol. Its IUPAC name is 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID42569136
Molecular FormulaC15H6F4N4S
Molecular Weight350.30 g/mol
Exact Mass350.02
IUPAC Name3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c1F
InChIInChI=1S/C15H6F4N4S/c16-9-5-1-3-7(11(9)18)13-20-21-15-23(13)22-14(24-15)8-4-2-6-10(17)12(8)19/h1-6H
InChIKeyPXLMHFBZULFXID-UHFFFAOYSA-N
XLogP4.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6-bis(2,3-difluorophenyl)-[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 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 42569136) is 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1cccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c1F.
What is the InChIKey of 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is PXLMHFBZULFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F4N4S/c16-9-5-1-3-7(11(9)18)13-20-21-15-23(13)22-14(24-15)8-4-2-6-10(17)12(8)19/h1-6H.
What are the key properties of 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 350.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 42569136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).