Basic information
- CAS
96018-04-1- Standard SMILES
CCN(C(=O)N(C)C(C)C)c1cc(-c2ccc(F)cc2)ns1- InChIKey
NEIAAIFFKJVXOI-UHFFFAOYSA-N- Molecular formula
- C16H20FN3OS
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13111161
Names & identifiers
- Preferred name
- Urea, N-ethyl-N-(3-(4-fluorophenyl)-5-isothiazolyl)-N'-methyl-N'-(1-methylethyl)-
- IUPAC
- 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propan-2-ylurea
Names & synonyms
DTXSID2073726N-Ethyl-N-(3-(4-fluorophenyl)-5-isothiazolyl)-N'-methyl-N'-isopropylureaN-Ethyl-N-[3-(4-fluorophenyl)-5-isothiazolyl]-N'-methyl-N'-isopropylureaUrea, N-ethyl-N-(3-(4-fluorophenyl)-5-isothiazolyl)-N'-methyl-N'-(1-methylethyl)-RefChem:388142DTXCID804899796018-04-1SCHEMBL11123536N-Ethyl-N-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-N'-methyl-N'-(propan-2-yl)urea
Database identifiers
- CAS
96018-04-1- PubChem CID
- 175666
- DTXSID
DTXSID2073726
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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