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

C11H6N4O2S — CID 655862

IUPAC3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C11H6N4O2S/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h1-6H
InChIKeyNTJAHJNZTGHMTR-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.71
Rot. Bonds2

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

3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 655862) has the molecular formula C11H6N4O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID655862
Molecular FormulaC11H6N4O2S
Molecular Weight258.26 g/mol
Exact Mass258.02
IUPAC Name3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C11H6N4O2S/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h1-6H
InChIKeyNTJAHJNZTGHMTR-UHFFFAOYSA-N
XLogP2.71
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135915288
6-(1-benzofuran-2-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163955
3-(4-tert-butylphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936948
6-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311864
4-[6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
CID 4970267
3-(furan-2-yl)-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897254
6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56761383
3-(4-chloro-2-fluorophenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45495364
6-(furan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667007
3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652795
6-(2,3-dimethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45493692
6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828104

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 655862) is 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1coc(-c2nn3c(-c4ccco4)nnc3s2)c1.
What is the InChIKey of 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is NTJAHJNZTGHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O2S/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h1-6H.
What are the key properties of 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 258.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 655862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).