5-Chloro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole
Basic information
- CAS
212779-20-9- Standard SMILES
COc1c(C)cnc(CCC2(C)Nc3cc(Cl)ccc3S2)c1C- InChIKey
NQMGUDLJJLXYEB-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2OS
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1063122
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole
- IUPAC
- 5-chloro-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]-2-methyl-3H-1,3-benzothiazole
Names & synonyms
CHEMBL58203DTXSID801122277BDBM50071077212779-20-95-Chloro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole5-Chloro-2,3-dihydro-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]-2-methylbenzothiazole5-Chloro-2-[2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethyl]-2-methyl-2,3-dihydro-1,3-benzothiazole
Database identifiers
- CAS
212779-20-9- PubChem CID
- 44299550
- DTXSID
DTXSID801122277- ChEMBL
CHEMBL58203
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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