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

C14H10N4O2S — CID 662529

IUPAC6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1
InChIInChI=1S/C14H10N4O2S/c1-2-5-10(6-3-1)20-9-12-15-16-14-18(12)17-13(21-14)11-7-4-8-19-11/h1-8H,9H2
InChIKeyCLXVKOAPAWIIOL-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.02
Rot. Bonds4

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

6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662529) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662529
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1
InChIInChI=1S/C14H10N4O2S/c1-2-5-10(6-3-1)20-9-12-15-16-14-18(12)17-13(21-14)11-7-4-8-19-11/h1-8H,9H2
InChIKeyCLXVKOAPAWIIOL-UHFFFAOYSA-N
XLogP3.02
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
CID 663145
3,6-Bis(2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 655862
6-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661498
3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661566
3-(3,4-Dimethoxyphenyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662318
3-(2-Chlorophenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662518
3-(2-furyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662524
2,4-Dichlorophenyl [3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether
CID 662586
6-(Furan-2-yl)-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662594
3-(2-Furyl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662768
6-(3-Ethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662842
3-(Furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663194

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662529) is 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1.
What is the InChIKey of 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CLXVKOAPAWIIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-2-5-10(6-3-1)20-9-12-15-16-14-18(12)17-13(21-14)11-7-4-8-19-11/h1-8H,9H2.
What are the key properties of 6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(furan-2-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 298.33 g/mol, XLogP of 3.02, 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-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).