Basic information
- Standard SMILES
Cl.O=C(Nc1ncsc1-c1ccccc1)NC1CN2CCC1CC2- InChIKey
LTBIVIOBWGQKGM-UHFFFAOYSA-N- Molecular formula
- C17H21ClN4OS
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.1124602
Names & identifiers
- Preferred name
- 1-(1-Azabicyclo[2.2.2]oct-3-yl)-3-(5-phenyl-1,3-thiazol-4-yl) urea hydrochloride
- IUPAC
- 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(5-phenyl-1,3-thiazol-4-yl)urea;hydrochloride
Names & synonyms
SCHEMBL3316140LTBIVIOBWGQKGM-UHFFFAOYSA-N1-(1-azabicyclo[2.2.2]oct-3-yl)-3-(5-phenyl-1,3-thiazol-4-yl) urea hydrochloride
Database identifiers
- PubChem CID
- 68593172
Properties
Computed structural properties
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
Related reactions
1 records
Compound notes
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