Basic information
- CAS
578002-07-0- Standard SMILES
CCOC(=O)c1sc(NNC(=O)c2ccc(F)cc2)nc1C- InChIKey
FKSQGZOLFRQKRB-UHFFFAOYSA-N- Molecular formula
- C14H14FN3O3S
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.07399065
Names & identifiers
- Preferred name
- Ethyl 2-[2-(4-fluorobenzoyl)hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[2-(4-fluorobenzoyl)hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
ethyl 2-[2-(4-fluorobenzoyl)hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate578002-07-0MLS000332954CHEMBL1390128DTXSID601331084HMS2795B11STL361270AKOS003752858SMR000436242ethyl 2-(2-(4-fluorobenzoyl)hydrazinyl)-4-methylthiazole-5-carboxylate2-[N'-(4-Fluoro-benzoyl)-hydrazino]-4-methyl-thiazole-5-carboxylic acid ethyl esterethyl 2-{2-[(4-fluorophenyl)carbonyl]hydrazinyl}-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
578002-07-0- PubChem CID
- 936722
- DTXSID
DTXSID601331084- ChEMBL
CHEMBL1390128
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Solubility42.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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