Basic information
- CAS
794583-04-3- Standard SMILES
CCNc1nc(-c2ccc(OC(F)F)cc2)c(C)s1- InChIKey
RUBRRYIXISVGBY-UHFFFAOYSA-N- Molecular formula
- C13H14F2N2OS
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.07949057
Names & identifiers
- Preferred name
- 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
- IUPAC
- 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
Names & synonyms
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amineMLS000807219CHEMBL1333792DTXSID301323604HMS2670E24AKOS034401370794583-04-3SMR000376354Z48854741
Database identifiers
- CAS
794583-04-3- PubChem CID
- 2443333
- DTXSID
DTXSID301323604- ChEMBL
CHEMBL1333792
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
Solubility20.9 [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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