Basic information
- CAS
340220-47-5- Standard SMILES
COc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O- InChIKey
RZTGIMMUYNYDOO-PTNGSMBKSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Names & identifiers
- Preferred name
- (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
- IUPAC
- (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
Names & synonyms
340220-47-5(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one(Z)-5-(2-methoxybenzylidene)-2-(4-methylpiperidin-1-yl)thiazol-4(5H)-oneMLS001196383CHEMBL1465550DTXSID501326197HMS2866I23AKOS000353150SMR000556318BIM-0038299.P001(5Z)-5-(2-methoxybenzylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one(5Z)-5-[(2-Methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
Show more names
5-(2-methoxybenzylidene)-2-(4-methyl-1-piperidinyl)-1,3-thiazol-4(5H)-one
Database identifiers
- CAS
340220-47-5- PubChem CID
- 2240299
- DTXSID
DTXSID501326197- ChEMBL
CHEMBL1465550
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Experimental & physicochemical properties
Solubility35 [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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