3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine|3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine|3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-...

General Information

Structure

Molecular Formula

C₁₀H₉N₅OS

Molecular Mass

247.27636

Exact Mass

247.05278093

Charge

InChI

InChI=1S/C10H9N5OS/c1-16-7-5-3-2-4-6(7)8-12-13-10-15(8)14-9(11)17-10/h2-5H,1H3,(H2,11,14)

InChIKey

FTHZPNNSKFAAEB-UHFFFAOYSA-N

Canonic Smiles

COc1ccccc1c1nnc2n1nc(s2)N

Isomeric Smiles

n12c(sc(n2)N)nnc1c1c(OC)cccc1

Calculated Properties

JChem

Acid pKa

14.56409

H Acceptors

H Donor

LogD (pH = 5.5)

1.4376994

LogD (pH = 7.4)

1.4376999

Log P

1.4377

Molar Refractivity

97.5638

Polarizability

24.198296

Polar Surface Area

78.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

IUPAC name

3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Synonyms

3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Names and Identifiers

Registration numbers

PubChem CID

23006526

PubChem SID

162217524

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:123171