Basic information
- Standard SMILES
COC(=O)CCCC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1- InChIKey
GYBIYTDOQGAUOS-UHFFFAOYSA-N- Molecular formula
- C17H19FN2O5S2
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- 4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-ylcarbamoyl]-butyric acid methyl ester
- IUPAC
- methyl 5-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoate
Names & synonyms
SCHEMBL48589GYBIYTDOQGAUOS-UHFFFAOYSA-N4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-ylcarbamoyl]-butyric acid methyl ester
Database identifiers
- PubChem CID
- 86640765
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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