Basic information
- Standard SMILES
CC(C)(C)c1nn(-c2cc3[nH]c(=O)sc3cc2Cl)c(=O)o1- InChIKey
HYIGPSVEGBBHFM-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O3S
- Average molar mass
- 325.77 g/mol
Names & identifiers
- Preferred name
- 3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-tert-butyl-3-(6-chloro-2-oxo-3H-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL9378146HYIGPSVEGBBHFM-UHFFFAOYSA-N3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one3-[6-chloro-2(3H)-benzothiazolon-5-yl]-5-(1,1-dimethylethyl) -1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 14280640
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 519
Related reactions
4 records
Compound notes
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