2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Basic information
- CAS
745801-97-2- Standard SMILES
O=C(CC1SC(N2CCOCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1- InChIKey
CDNIIKSZOPUJAX-UHFFFAOYSA-N- Molecular formula
- C16H16F3N3O3S
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.08644704
Names & identifiers
- Preferred name
- 2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Names & synonyms
2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamideMLS002248781CHEMBL1731736DTXSID301331992HMS3040L09AKOS000996379AKOS016283160745801-97-2SMR001316240Z489653302-[2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Database identifiers
- CAS
745801-97-2- PubChem CID
- 3974387
- DTXSID
DTXSID301331992- ChEMBL
CHEMBL1731736
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Experimental & physicochemical properties
Solubility27.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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