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

C14H10N4O2S — CID 73353352

IUPAC6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1
InChIInChI=1S/C14H10N4O2S/c1-19-11-4-2-9(3-5-11)12-15-16-14-18(12)17-13(21-14)10-6-7-20-8-10/h2-8H,1H3
InChIKeyBEBHKCHGOXBQFM-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.12
Rot. Bonds3

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

6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 73353352) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID73353352
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1
InChIInChI=1S/C14H10N4O2S/c1-19-11-4-2-9(3-5-11)12-15-16-14-18(12)17-13(21-14)10-6-7-20-8-10/h2-8H,1H3
InChIKeyBEBHKCHGOXBQFM-UHFFFAOYSA-N
XLogP3.12
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 73353352) is 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nnc3sc(-c4ccoc4)nn23)cc1.
What is the InChIKey of 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BEBHKCHGOXBQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-19-11-4-2-9(3-5-11)12-15-16-14-18(12)17-13(21-14)10-6-7-20-8-10/h2-8H,1H3.
What are the key properties of 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 298.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 73353352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).