Basic information
- Standard SMILES
COc1cccc2sc(OC3CCC(N)CC3)nc12- InChIKey
ITLNEWXSUJKCHW-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2S
- Average molar mass
- 278.37 g/mol
- Monoisotopic mass
- 278.10889899
Names & identifiers
- Preferred name
- trans-4-(4-Methoxy-benzothiazol-2-yloxy)-cyclohexylamine
- IUPAC
- 4-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]cyclohexan-1-amine
Names & synonyms
SCHEMBL2203301SCHEMBL2203307ITLNEWXSUJKCHW-MGCOHNPYSA-Ntrans-4-(4-methoxy-benzothiazol-2-yloxy)-cyclohexylamine
Database identifiers
- PubChem CID
- 67315741
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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