Basic information
- Standard SMILES
C#Cc1ccccc1C1CC(c2csc(C3CCN(C(=O)Cn4nc(C(F)F)cc4C(F)F)CC3)n2)=NO1- InChIKey
JYAVVDAAWFMKJA-UHFFFAOYSA-N- Molecular formula
- C26H23F4N5O2S
- Average molar mass
- 545.6 g/mol
Names & identifiers
- Preferred name
- 2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[5-(2-ethynylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanone
- IUPAC
- 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[4-[5-(2-ethynylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
Names & synonyms
2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[5-(2-ethynylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanoneSCHEMBL2455866
Database identifiers
- PubChem CID
- 86657565
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 925
Related reactions
3 records
Compound notes
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