N-[(3,4-dimethoxyphenyl)methyl]-2-(2-imino-1,3-thiazol-3-yl)-N-methylacetamide;hydrochloride
Basic information
- CAS
1052542-91-2- Standard SMILES
COc1ccc(CN(C)C(=O)Cn2ccsc2=N)cc1OC.Cl- InChIKey
BFEHAUQMJPPJQA-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3O3S
- Average molar mass
- 357.9 g/mol
- Monoisotopic mass
- 357.0913904
Names & identifiers
- Preferred name
- N-[(3,4-dimethoxyphenyl)methyl]-2-(2-imino-1,3-thiazol-3-yl)-N-methylacetamide;hydrochloride
- IUPAC
- N-[(3,4-dimethoxyphenyl)methyl]-2-(2-imino-1,3-thiazol-3-yl)-N-methylacetamide;hydrochloride
Names & synonyms
MLS001172865CHEMBL2135612AKOS034400420SMR000587933SR-01000051709SR-01000051709-1Z48794427
Database identifiers
- CAS
1052542-91-2- PubChem CID
- 16248233
- ChEMBL
CHEMBL2135612
Properties
Computed structural properties
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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