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

C15H9N5OS — CID 135652795

IUPAC3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1
InChIInChI=1S/C15H9N5OS/c1-2-5-10-9(4-1)8-11(16-10)14-19-20-13(12-6-3-7-21-12)17-18-15(20)22-14/h1-8,16H
InChIKeyRNSHTDZRXIDTNC-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.59
Rot. Bonds2

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

3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 135652795) has the molecular formula C15H9N5OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID135652795
Molecular FormulaC15H9N5OS
Molecular Weight307.34 g/mol
Exact Mass307.05
IUPAC Name3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1
InChIInChI=1S/C15H9N5OS/c1-2-5-10-9(4-1)8-11(16-10)14-19-20-13(12-6-3-7-21-12)17-18-15(20)22-14/h1-8,16H
InChIKeyRNSHTDZRXIDTNC-UHFFFAOYSA-N
XLogP3.59
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 135652795) is 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1coc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1.
What is the InChIKey of 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RNSHTDZRXIDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5OS/c1-2-5-10-9(4-1)8-11(16-10)14-19-20-13(12-6-3-7-21-12)17-18-15(20)22-14/h1-8,16H.
What are the key properties of 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 307.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 135652795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).