Basic information
- Standard SMILES
Cc1c(-c2ccc(O)cc2)nsc1NC(=O)[C@@H]1C[C@H]1C- InChIKey
MJEBFQNRQDMUCQ-PRHODGIISA-N- Molecular formula
- C15H16N2O2S
- Average molar mass
- 288.4 g/mol
Names & identifiers
- Preferred name
- (R,R)-N-[3-(4-hydroxyphenyl)-4-methylisothiazol-5-yl]-2-methylcyclopropanecarboxamide
- IUPAC
- trans-(1R,2R)-N-[3-(4-hydroxyphenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
Names & synonyms
CHEMBL2011880SCHEMBL1837375MJEBFQNRQDMUCQ-PRHODGIISA-NBDBM50379870(R,R)-N-[3-(4-Hydroxyphenyl)-4-methylisothiazol-5-yl]-2-methylcyclopropane-carboxamide(R,R)-N-[3-(4-hydroxyphenyl)-4-methylisothiazol-5-yl]-2-methylcyclopropanecarboxamide
Database identifiers
- PubChem CID
- 136244237
- ChEMBL
CHEMBL2011880
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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