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

C15H9F3N4O2S — CID 52900758

IUPAC6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)Oc1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1
InChIInChI=1S/C15H9F3N4O2S/c16-15(17,18)24-10-5-3-9(4-6-10)8-12-19-20-14-22(12)21-13(25-14)11-2-1-7-23-11/h1-7H,8H2
InChIKeyVZOPTTGNDJKXQV-UHFFFAOYSA-N
MW366.32 g/mol
LogP3.94
Rot. Bonds4

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

6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 52900758) has the molecular formula C15H9F3N4O2S and a molecular weight of 366.32 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID52900758
Molecular FormulaC15H9F3N4O2S
Molecular Weight366.32 g/mol
Exact Mass366.04
IUPAC Name6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)Oc1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1
InChIInChI=1S/C15H9F3N4O2S/c16-15(17,18)24-10-5-3-9(4-6-10)8-12-19-20-14-22(12)21-13(25-14)11-2-1-7-23-11/h1-7H,8H2
InChIKeyVZOPTTGNDJKXQV-UHFFFAOYSA-N
XLogP3.94
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 52900758) is 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)Oc1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1.
What is the InChIKey of 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VZOPTTGNDJKXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2S/c16-15(17,18)24-10-5-3-9(4-6-10)8-12-19-20-14-22(12)21-13(25-14)11-2-1-7-23-11/h1-7H,8H2.
What are the key properties of 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 366.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 52900758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).