Basic information
- Standard SMILES
CC(=O)Nc1nc(CCc2ccc(N)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1- InChIKey
FRRHDFJEENLXOJ-UHFFFAOYSA-N- Molecular formula
- C21H23N3O3S2
- Average molar mass
- 429.6 g/mol
Names & identifiers
- Preferred name
- N-(4-[2-(4-aminophenyl)ethyl]-5-[4-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl)acetamide
- IUPAC
- N-[4-[2-(4-aminophenyl)ethyl]-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
Names & synonyms
N-(4-[2-(4-aminophenyl)ethyl]-5-[4-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl)acetamideN-{4-[2-(4-aminophenyl)ethyl]-5-(4-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl}acetamideN-{4-[2-(4-aminophenyl)ethyl]-5-[4-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl)acetamideN-{4-[2-(4-Aminophenyl)ethyl]-5-[4-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl}acetamideSCHEMBL3931455FRRHDFJEENLXOJ-UHFFFAOYSA-NN-{4-[2-(4-aminophenyl)ethyl]-5-[4-(methylsulfonyl)benzyl]-1,3-thiazol-2-yl}-acetamide
Database identifiers
- PubChem CID
- 21914845
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 636
Related reactions
11 records
Compound notes
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