3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C14H10N4OS — CID 746040

IUPAC3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1
InChIInChI=1S/C14H10N4OS/c1-2-5-10(6-3-1)11-9-20-14-16-15-13(18(14)17-11)12-7-4-8-19-12/h1-8H,9H2
InChIKeyFOTKUFAVUIQQFF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.90
Rot. Bonds2

About 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 746040) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID746040
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1
InChIInChI=1S/C14H10N4OS/c1-2-5-10(6-3-1)11-9-20-14-16-15-13(18(14)17-11)12-7-4-8-19-12/h1-8H,9H2
InChIKeyFOTKUFAVUIQQFF-UHFFFAOYSA-N
XLogP2.90
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.90
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-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 746040) is 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1.
What is the InChIKey of 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is FOTKUFAVUIQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-2-5-10(6-3-1)11-9-20-14-16-15-13(18(14)17-11)12-7-4-8-19-12/h1-8H,9H2.
What are the key properties of 3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(furan-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 282.33 g/mol, XLogP of 2.90, 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-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 746040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).