Basic information
- Standard SMILES
COc1ccc(CCN2CCC(Nc3nc4ccccc4s3)CC2)cc1- InChIKey
OMHUCBNYIAMLSP-UHFFFAOYSA-N- Molecular formula
- C21H25N3OS
- Average molar mass
- 367.5 g/mol
Names & identifiers
- Preferred name
- N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-2-benzothiazolamine
- IUPAC
- N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
Names & synonyms
SCHEMBL9779515OMHUCBNYIAMLSP-UHFFFAOYSA-NN-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-2-benzothiazolamineN-[1-[2-(4-methoxyphenyl)-ethyl]-4-piperidinyl]-2-benzothiazolamine
Database identifiers
- PubChem CID
- 14575764
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 421
Related reactions
4 records
Compound notes
Loading…