Basic information
- Standard SMILES
c1cncc(-c2noc(-c3ccc4scnc4c3)n2)c1- InChIKey
RDUMUBOETLFKKX-UHFFFAOYSA-N- Molecular formula
- C14H8N4OS
- Average molar mass
- 280.31 g/mol
- Monoisotopic mass
- 280.04188206
Names & identifiers
- Preferred name
- 5-(Benzo[d]thiazol-5-yl)-3-(pyridin-3-yl)-1,2,4-oxadiazole
- IUPAC
- 5-(1,3-benzothiazol-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
Names & synonyms
SCHEMBL1421337RDUMUBOETLFKKX-UHFFFAOYSA-NDB-1394525-[3-(3-Pyridinyl)-1,2,4-oxadiazol-5-yl]benzothiazole5-(benzo[d]thiazol-5-yl)-3-(pyridin-3-yl)-1,2,4-oxadiazole1073461-29-6
Database identifiers
- PubChem CID
- 44544963
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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