Basic information
- CAS
5317-57-7- Standard SMILES
CCCCCCCCc1nnc(NC(=O)CCC)s1- InChIKey
WXZIBHFJRXRLEB-UHFFFAOYSA-N- Molecular formula
- C14H25N3OS
- Average molar mass
- 283.44 g/mol
- Monoisotopic mass
- 283.1718336
Names & identifiers
- Preferred name
- N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide
- IUPAC
- N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide
Names & synonyms
N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide5317-57-7DTXSID20366973
Database identifiers
- CAS
5317-57-7- PubChem CID
- 2202811
- DTXSID
DTXSID20366973
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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