Basic information
- Standard SMILES
CC(C)(C)n1ncc(C2=NC(C(=O)NCCC3CCOCC3)CS2)c1-c1ccc(F)cc1- InChIKey
IUOPSMIVOAKSNT-UHFFFAOYSA-N- Molecular formula
- C24H31FN4O2S
- Average molar mass
- 458.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-tert-butyl-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
- IUPAC
- 2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(oxan-4-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL14684268IUOPSMIVOAKSNT-UHFFFAOYSA-N2-[1-tert-butyl-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 71250797
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
1 records
Compound notes
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