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

C14H9FN4OS — CID 6493857

IUPAC6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1occc1-c1nnc2sc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C14H9FN4OS/c1-8-11(6-7-20-8)12-16-17-14-19(12)18-13(21-14)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyTZFOTRRJPMLMHG-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.56
Rot. Bonds2

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

6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 6493857) has the molecular formula C14H9FN4OS and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID6493857
Molecular FormulaC14H9FN4OS
Molecular Weight300.32 g/mol
Exact Mass300.05
IUPAC Name6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1occc1-c1nnc2sc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C14H9FN4OS/c1-8-11(6-7-20-8)12-16-17-14-19(12)18-13(21-14)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyTZFOTRRJPMLMHG-UHFFFAOYSA-N
XLogP3.56
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 6493857) is 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1occc1-c1nnc2sc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is TZFOTRRJPMLMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4OS/c1-8-11(6-7-20-8)12-16-17-14-19(12)18-13(21-14)9-2-4-10(15)5-3-9/h2-7H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 300.32 g/mol, XLogP of 3.56, 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-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 6493857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).