Basic information
- Standard SMILES
COc1ncc(-c2ccc3nc(N4CC[C@@H](N5CCCCC5)C4)sc3c2)cn1- InChIKey
KEVLYRSALSMFBD-QGZVFWFLSA-N- Molecular formula
- C21H25N5OS
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.17798161
Names & identifiers
- Preferred name
- (R)-6-(2-methoxypyrimidin-5-yl)-2-(3-(piperidin-1-yl)pyrrolidin-1-yl)benzo[d]thiazole
- IUPAC
- 6-(2-methoxypyrimidin-5-yl)-2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazole
Names & synonyms
SCHEMBL1094201KEVLYRSALSMFBD-QGZVFWFLSA-N(R)-6-(2-methoxypyrimidin-5-yl)-2-(3-(piperidin-1-yl)pyrrolidin-1-yl)benzo[d]thiazole
Database identifiers
- PubChem CID
- 44124248
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
4 records
Compound notes
Loading…