6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C8H3F3N4S2 — CID 666070

IUPAC6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3cccs3)nn12
InChIInChI=1S/C8H3F3N4S2/c9-8(10,11)6-12-13-7-15(6)14-5(17-7)4-2-1-3-16-4/h1-3H
InChIKeyRWMQISBOYWWFNI-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.93
Rot. Bonds1

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

6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 666070) has the molecular formula C8H3F3N4S2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID666070
Molecular FormulaC8H3F3N4S2
Molecular Weight276.27 g/mol
Exact Mass275.98
IUPAC Name6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3cccs3)nn12
InChIInChI=1S/C8H3F3N4S2/c9-8(10,11)6-12-13-7-15(6)14-5(17-7)4-2-1-3-16-4/h1-3H
InChIKeyRWMQISBOYWWFNI-UHFFFAOYSA-N
XLogP2.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 666070) is 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1nnc2sc(-c3cccs3)nn12.
What is the InChIKey of 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RWMQISBOYWWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N4S2/c9-8(10,11)6-12-13-7-15(6)14-5(17-7)4-2-1-3-16-4/h1-3H.
What are the key properties of 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 276.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 666070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).