2-Amino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazol-4-one
Basic information
- CAS
304646-57-9- Standard SMILES
NC1=NC(=O)C(=Cc2ccccc2OC(F)F)S1- InChIKey
ZVIUYAGLNCQDPV-UHFFFAOYSA-N- Molecular formula
- C11H8F2N2O2S
- Average molar mass
- 270.26 g/mol
- Monoisotopic mass
- 270.027455
Names & identifiers
- Preferred name
- 2-Amino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazol-4-one
- IUPAC
- 2-amino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazol-4-one
Database identifiers
- CAS
304646-57-9- PubChem CID
- 3607102
- DTXSID
DTXSID101169333
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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