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

C13H8N4OS — CID 937168

IUPAC3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1
InChIInChI=1S/C13H8N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h1-8H
InChIKeyAMSXPBLSQAXKBO-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.11
Rot. Bonds2

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

3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 937168) has the molecular formula C13H8N4OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID937168
Molecular FormulaC13H8N4OS
Molecular Weight268.30 g/mol
Exact Mass268.04
IUPAC Name3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1
InChIInChI=1S/C13H8N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h1-8H
InChIKeyAMSXPBLSQAXKBO-UHFFFAOYSA-N
XLogP3.11
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 937168) is 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1.
What is the InChIKey of 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AMSXPBLSQAXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h1-8H.
What are the key properties of 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 268.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 937168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).