Basic information
- Standard SMILES
CCOC(=O)c1ccc(Oc2cnc(N)s2)c(F)c1- InChIKey
JTVDILIZHIAFAA-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O3S
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.04744155
Names & identifiers
- Preferred name
- 4-(2-Amino-thiazol-5-yloxy)-3-fluoro-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-3-fluorobenzoate
Names & synonyms
SCHEMBL184328JTVDILIZHIAFAA-UHFFFAOYSA-NDB-385321Ethyl 4-[(2-amino-5-thiazolyl)oxy]-3-fluorobenzoate4-(2-amino-thiazol-5-yloxy)-3-fluoro-benzoic acid ethyl ester1328998-32-8
Database identifiers
- PubChem CID
- 59610027
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
2 records
Compound notes
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