Basic information
- CAS
42458-68-4- Standard SMILES
O=C(CBr)Nc1nnc(C(F)(F)F)s1- InChIKey
QZJANWLGIWMKMO-UHFFFAOYSA-N- Molecular formula
- C5H3BrF3N3OS
- Average molar mass
- 290.06 g/mol
- Monoisotopic mass
- 288.91323
Names & identifiers
- Preferred name
- Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 2-bromo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Names & synonyms
Acetamide, 2-bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-42458-68-42-Bromo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamideDTXSID101952342-bromo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamideRefChem:314682DTXCID20117725SCHEMBL8350034CHEMBL2268672QZJANWLGIWMKMO-UHFFFAOYSA-N
Database identifiers
- CAS
42458-68-4- PubChem CID
- 148449
- DTXSID
DTXSID10195234- ChEMBL
CHEMBL2268672- Nikkaji
- J1.881.805A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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