Basic information
- Standard SMILES
O=C(N[C@H]1CN2CCC1CC2)c1cnc(Sc2ccccc2)s1.O=C(O)/C=C/C(=O)O- InChIKey
IJCVMIAMWCAKQJ-KZHAMYRLSA-N- Molecular formula
- C21H23N3O5S2
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-2-(phenylsulfanyl)-1,3-thiazole-5-carboxamide Fumarate
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-phenylsulfanyl-1,3-thiazole-5-carboxamide;(E)-but-2-enedioic acid
Names & synonyms
SCHEMBL7224656IJCVMIAMWCAKQJ-KZHAMYRLSA-NN-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-2-(phenylsulfanyl)-1,3-thiazole-5-carboxamide Fumarate
Database identifiers
- PubChem CID
- 10298317
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 541
Related reactions
3 records
Compound notes
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