Basic information
- Standard SMILES
Cc1nc(Cn2c(=O)sc3cc(F)c(N=C=S)cc32)no1- InChIKey
CQSRLMKVYHPCQT-UHFFFAOYSA-N- Molecular formula
- C12H7FN4O2S2
- Average molar mass
- 322.3 g/mol
Names & identifiers
- Preferred name
- 6-fluoro-5-isothiocyanato-3-(5-methyl-1,2,4-oxadiazol-3-ylmethyl)-2(3H)-benzothiazolone
- IUPAC
- 6-fluoro-5-isothiocyanato-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL9686339CQSRLMKVYHPCQT-UHFFFAOYSA-N6-fluoro-5-isothiocyanato-3-(5-methyl-1,2,4-oxadiazol-3-ylmethyl)-2(3H)-benzothiazolone
Database identifiers
- PubChem CID
- 19979486
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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