Basic information
- Standard SMILES
COc1ccc(-c2cccc(N(C)C)c2)c2sc(NC(=O)c3ccc(C)s3)nc12- InChIKey
OMDHCPBIDBYSIT-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2S2
- Average molar mass
- 423.6 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-thiophene-2-carboxylic acid [7-(3-dimethylamino-phenyl)-4-methoxy-benzothiazol-2-yl]-amide
- IUPAC
- N-[7-[3-(dimethylamino)phenyl]-4-methoxy-1,3-benzothiazol-2-yl]-5-methylthiophene-2-carboxamide
Names & synonyms
OMDHCPBIDBYSIT-UHFFFAOYSA-N5-Methyl-thiophene-2-carboxylic acid [7-(3-dimethylamino-phenyl)-4-methoxy-benzothiazol-2-yl]-amide
Database identifiers
- PubChem CID
- 86584909
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 578
Related reactions
3 records
Compound notes
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