Basic information
- CAS
96018-24-5- Standard SMILES
CCN(C)C(=O)Nc1cc(-c2ccc(F)cc2)ns1- InChIKey
AAYMZRMPKZAJNH-UHFFFAOYSA-N- Molecular formula
- C13H14FN3OS
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.08416141
Names & identifiers
- Preferred name
- N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylurea
- IUPAC
- 1-ethyl-3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-1-methylurea
Names & synonyms
96018-24-5N-Ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methylureaN-Ethyl-N'-[3-(4-fluorophenyl)-5-isothiazolyl]-N-methylureaDTXSID2073728SCHEMBL11120655Urea, N-ethyl-N'-(3-(4-fluorophenyl)-5-isothiazolyl)-N-methyl-N-Ethyl-N'-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-N-methylurea
Database identifiers
- CAS
96018-24-5- PubChem CID
- 175669
- DTXSID
DTXSID2073728
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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