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

C13H10N4OS — CID 3161201

IUPAC6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(-c3cc4ccccc4o3)nn12
InChIInChI=1S/C13H10N4OS/c1-2-11-14-15-13-17(11)16-12(19-13)10-7-8-5-3-4-6-9(8)18-10/h3-7H,2H2,1H3
InChIKeyYZWJUNPKNCRCHS-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.16
Rot. Bonds2

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

6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 3161201) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID3161201
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(-c3cc4ccccc4o3)nn12
InChIInChI=1S/C13H10N4OS/c1-2-11-14-15-13-17(11)16-12(19-13)10-7-8-5-3-4-6-9(8)18-10/h3-7H,2H2,1H3
InChIKeyYZWJUNPKNCRCHS-UHFFFAOYSA-N
XLogP3.16
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 3161201) is 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1nnc2sc(-c3cc4ccccc4o3)nn12.
What is the InChIKey of 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is YZWJUNPKNCRCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-2-11-14-15-13-17(11)16-12(19-13)10-7-8-5-3-4-6-9(8)18-10/h3-7H,2H2,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 270.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 3161201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).