6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H8N4O2S — CID 3163955

IUPAC6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
InChIInChI=1S/C15H8N4O2S/c1-2-5-10-9(4-1)8-12(21-10)14-18-19-13(11-6-3-7-20-11)16-17-15(19)22-14/h1-8H
InChIKeyGDFZGGNCDXROFT-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.86
Rot. Bonds2

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

6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 3163955) has the molecular formula C15H8N4O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID3163955
Molecular FormulaC15H8N4O2S
Molecular Weight308.32 g/mol
Exact Mass308.04
IUPAC Name6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1
InChIInChI=1S/C15H8N4O2S/c1-2-5-10-9(4-1)8-12(21-10)14-18-19-13(11-6-3-7-20-11)16-17-15(19)22-14/h1-8H
InChIKeyGDFZGGNCDXROFT-UHFFFAOYSA-N
XLogP3.86
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 3163955) is 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1coc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is GDFZGGNCDXROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4O2S/c1-2-5-10-9(4-1)8-12(21-10)14-18-19-13(11-6-3-7-20-11)16-17-15(19)22-14/h1-8H.
What are the key properties of 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 308.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 3163955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).