Basic information
- CAS
790708-49-5- Standard SMILES
CC(C)C(C(=O)NC1=NCCS1)c1ccc(Cl)cc1- InChIKey
BDZXBWOFMCKTQQ-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2OS
- Average molar mass
- 296.8 g/mol
- Monoisotopic mass
- 296.075012
Names & identifiers
- Preferred name
- 2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
- IUPAC
- 2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
Names & synonyms
2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide790708-49-5MLS000771376CHEMBL1526280DTXSID801329621AKOS034117507EBC-149098SMR000344457SR-01000059046SR-01000059046-1Z30008991
Database identifiers
- CAS
790708-49-5- PubChem CID
- 4875224
- DTXSID
DTXSID801329621- ChEMBL
CHEMBL1526280
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Solubility1.7 [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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