Basic information
- Standard SMILES
CC1CCCN1CCc1nc2ccc(Br)cc2s1- InChIKey
XDIITSGWTLHBDM-UHFFFAOYSA-N- Molecular formula
- C14H17BrN2S
- Average molar mass
- 325.27 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]benzothiazole
- IUPAC
- 6-bromo-2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-benzothiazole
Names & synonyms
SCHEMBL489314XDIITSGWTLHBDM-UHFFFAOYSA-N6-bromo-2-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-benzothiazole6-bromo-2-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]benzothiazole6-bromo-2[-2-(2-methyl-pyrrolidin-1-yl)-ethyl]-benzothiazole
Database identifiers
- PubChem CID
- 21980004
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
7 records
Compound notes
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