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

C14H9FN4S2 — CID 850856

IUPAC3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nnc3sc(Cc4cccs4)nn23)c1
InChIInChI=1S/C14H9FN4S2/c15-10-4-1-3-9(7-10)13-16-17-14-19(13)18-12(21-14)8-11-5-2-6-20-11/h1-7H,8H2
InChIKeyMENMXIZCXHSUQG-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.64
Rot. Bonds3

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

3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 850856) has the molecular formula C14H9FN4S2 and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID850856
Molecular FormulaC14H9FN4S2
Molecular Weight316.39 g/mol
Exact Mass316.03
IUPAC Name3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nnc3sc(Cc4cccs4)nn23)c1
InChIInChI=1S/C14H9FN4S2/c15-10-4-1-3-9(7-10)13-16-17-14-19(13)18-12(21-14)8-11-5-2-6-20-11/h1-7H,8H2
InChIKeyMENMXIZCXHSUQG-UHFFFAOYSA-N
XLogP3.64
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[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-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 850856) is 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1cccc(-c2nnc3sc(Cc4cccs4)nn23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is MENMXIZCXHSUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4S2/c15-10-4-1-3-9(7-10)13-16-17-14-19(13)18-12(21-14)8-11-5-2-6-20-11/h1-7H,8H2.
What are the key properties of 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 316.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 850856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).