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

C14H10N4O2S — CID 663194

IUPAC3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C14H10N4O2S/c1-19-10-5-2-4-9(8-10)13-17-18-12(11-6-3-7-20-11)15-16-14(18)21-13/h2-8H,1H3
InChIKeyJUWOQFYIWBXSQO-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.12
Rot. Bonds3

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

3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 663194) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID663194
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C14H10N4O2S/c1-19-10-5-2-4-9(8-10)13-17-18-12(11-6-3-7-20-11)15-16-14(18)21-13/h2-8H,1H3
InChIKeyJUWOQFYIWBXSQO-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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Related Compounds

CID 663145
CID 663145
CID 746040
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CID 655862
CID 655862
CID 661498
CID 661498
CID 938394
CID 938394
CID 662459
CID 662459
CID 662913
CID 662913
CID 1987920
CID 1987920
CID 3647829
CID 3647829
CID 661566
CID 661566
CID 662318
CID 662318
CID 662518
CID 662518

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 663194) is 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1.
What is the InChIKey of 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JUWOQFYIWBXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-19-10-5-2-4-9(8-10)13-17-18-12(11-6-3-7-20-11)15-16-14(18)21-13/h2-8H,1H3.
What are the key properties of 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(furan-2-yl)-6-(3-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 3-(furan-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 663194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).