3-(Benzo[d]thiazol-2-yl)-1,2,4-oxadiazole
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Basic information
- CAS
39512-78-2- Standard SMILES
c1ccc2sc(-c3ncon3)nc2c1- InChIKey
ZEUFWRBCUDCSFJ-UHFFFAOYSA-N- Molecular formula
- C9H5N3OS
- Average molar mass
- 203.22 g/mol
Names & identifiers
- Preferred name
- 3-(Benzo[d]thiazol-2-yl)-1,2,4-oxadiazole
- IUPAC
- 3-(1,3-benzothiazol-2-yl)-1,2,4-oxadiazole
- English name
- Benzothiazole, 2-(1,2,4-oxadiazol-3-yl)- (9CI)
- Molecular formula
- C9H5N3OS
- Molecular weight
- 203.2205
Names & synonyms
39512-78-23-(Benzo[d]thiazol-2-yl)-1,2,4-oxadiazoleSCHEMBL8942366DB-274698BENZOTHIAZOLE, 2-(1,2,4-OXADIAZOL-3-YL)-Benzothiazole, 2-(1,2,4-oxadiazol-3-yl)- (9CI)
Database identifiers
- CAS
39512-78-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
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Compound notes
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