3-(Benzylamino-methyl)-3H-benzothiazol-2-one
Basic information
- CAS
633299-28-2- Standard SMILES
O=c1sc2ccccc2n1CNCc1ccccc1- InChIKey
ZAOKVPFQJWXMEM-UHFFFAOYSA-N- Molecular formula
- C15H14N2OS
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.08268425
Names & identifiers
- Preferred name
- 3-(Benzylamino-methyl)-3H-benzothiazol-2-one
- IUPAC
- 3-[(benzylamino)methyl]-1,3-benzothiazol-2-one
- English name
- 3-(Benzylamino-methyl)-3H-benzothiazol-2-one
- Molecular weight
- 0
Names & synonyms
AKOS0243431543-(BENZYLAMINO-METHYL)-3H-BENZOTHIAZOL-2-ONE
Database identifiers
- CAS
633299-28-2- PubChem CID
- 4337003
- EC Number
- 159-616-4
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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