Basic information
- Standard SMILES
CSC(=Nc1cc(C)ccc1C)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1- InChIKey
FXMJRKDRYVZUPQ-UHFFFAOYSA-N- Molecular formula
- C27H30N4OS2
- Average molar mass
- 490.7 g/mol
Names & identifiers
- Preferred name
- methyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperidinecarboximidothioate
- IUPAC
- methyl N-(2,5-dimethylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboximidothioate
Names & synonyms
methyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperdinecarboximidothioatemethyl 4-[4-[4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperdinecarboximidothioateSCHEMBL253045SCHEMBL253046FXMJRKDRYVZUPQ-UHFFFAOYSA-Nmethyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperidinecarboximidothioate
Database identifiers
- PubChem CID
- 66633932
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
2 records
Compound notes
Loading…