Basic information
- CAS
877050-73-2- Standard SMILES
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2ncsc2c1- InChIKey
HKLZRGFSKOGQOF-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.10414797
Names & identifiers
- Preferred name
- N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-6-carboxamide
- IUPAC
- N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-6-carboxamide
Names & synonyms
N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-6-carboxamideMLS002251605CHEMBL1698704DTXSID401329829HMS3093P21AKOS034134942877050-73-2SMR001313994Z30485634N-[4-(morpholin-4-yl)phenyl]-1,3-benzothiazole-6-carboxamide
Database identifiers
- CAS
877050-73-2- PubChem CID
- 9100764
- DTXSID
DTXSID401329829- ChEMBL
CHEMBL1698704
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Experimental & physicochemical properties
Solubility10.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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