Basic information
- Standard SMILES
CC1CCN(C(=O)c2ccc(-c3nc4ccc(O)c(C=O)c4s3)cc2)CC1- InChIKey
OPQAIYCKOILEEO-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3S
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2-[4-(4-methyl-piperidine-1-carbonyl)-phenyl]-benzothiazole-7-carbaldehyde
- IUPAC
- 6-hydroxy-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-benzothiazole-7-carbaldehyde
Names & synonyms
CHEMBL3668072SCHEMBL14916518OPQAIYCKOILEEO-UHFFFAOYSA-NBDBM160389US9040714, 576-Hydroxy-2-[4-(4-methyl-piperidine-1-carbonyl)-phenyl]-benzothiazole-7-carbaldehyde
Database identifiers
- PubChem CID
- 54575930
- ChEMBL
CHEMBL3668072
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Related reactions
1 records
Compound notes
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