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

C14H8FN5S — CID 16764760

IUPAC6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1
InChIInChI=1S/C14H8FN5S/c15-10-6-4-9(5-7-10)13-19-20-12(17-18-14(20)21-13)11-3-1-2-8-16-11/h1-8H
InChIKeyADBLMSDTIYPITC-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.05
Rot. Bonds2

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

6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 16764760) has the molecular formula C14H8FN5S and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID16764760
Molecular FormulaC14H8FN5S
Molecular Weight297.32 g/mol
Exact Mass297.05
IUPAC Name6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1
InChIInChI=1S/C14H8FN5S/c15-10-6-4-9(5-7-10)13-19-20-12(17-18-14(20)21-13)11-3-1-2-8-16-11/h1-8H
InChIKeyADBLMSDTIYPITC-UHFFFAOYSA-N
XLogP3.05
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-3-pyridin-2-yl-[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-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 16764760) is 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ADBLMSDTIYPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5S/c15-10-6-4-9(5-7-10)13-19-20-12(17-18-14(20)21-13)11-3-1-2-8-16-11/h1-8H.
What are the key properties of 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 297.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 16764760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).