5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
Basic information
- Standard SMILES
Nc1nnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1- InChIKey
PPAGJHSQJXPNSL-UHFFFAOYSA-N- Molecular formula
- C14H15F3N4OS
- Average molar mass
- 344.36 g/mol
- Monoisotopic mass
- 344.09186677
Names & identifiers
- Preferred name
- 5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
Names & synonyms
5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amineSCHEMBL473029DB-1394965-[4-[2-(Trifluoromethyl)phenoxy]-1-piperidinyl]-1,3,4-thiadiazol-2-amine916889-34-4
Database identifiers
- PubChem CID
- 53388367
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
Related reactions
4 records
Compound notes
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