Basic information
- CAS
96017-97-9- Standard SMILES
CON(C)C(=O)Nc1cc(-c2ccc(F)cc2)ns1- InChIKey
OPIOHFQVEWKHPK-UHFFFAOYSA-N- Molecular formula
- C12H12FN3O2S
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.06342597
Names & identifiers
- Preferred name
- N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylurea
- IUPAC
- 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methoxy-1-methylurea
Names & synonyms
96017-97-9N'-(3-(4-Fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methylureaN'-[3-(4-Fluorophenyl)-5-isothiazolyl]-N-methoxy-N-methylureaDTXSID7073725SCHEMBL11125307Urea, N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methoxy-N-methyl-N'-[3-(4-Fluorophenyl)-1,2-thiazol-5-yl]-N-methoxy-N-methylurea
Database identifiers
- CAS
96017-97-9- PubChem CID
- 175665
- DTXSID
DTXSID7073725
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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