(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
Basic information
- CAS
311799-87-8- Standard SMILES
O=C1N=C(N2CCCC2)S/C1=C\C=C\c1ccccc1- InChIKey
KYEFDEKUDBDGJM-NHZNEZGNSA-N- Molecular formula
- C16H16N2OS
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.09833431
Names & identifiers
- Preferred name
- (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
- IUPAC
- (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
Names & synonyms
(5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one311799-87-8MLS001012203CHEMBL1352897DTXSID901331988HMS2785O16STK396889AKOS000352739SMR000425250ST107075ST50857953
Show more names
AG-205/11674064SR-01000518753SR-01000518753-1(Z)-5-((E)-3-phenylallylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one5-((2E)-3-phenylprop-2-enylidene)-2-pyrrolidinyl-1,3-thiazolin-4-one5-[(E)-3-Phenyl-prop-2-en-(Z)-ylidene]-2-pyrrolidin-1-yl-thiazol-4-one(5Z)-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2-(PYRROLIDIN-1-YL)-1,3-THIAZOL-4-ONE
Database identifiers
- CAS
311799-87-8- PubChem CID
- 694255
- DTXSID
DTXSID901331988- ChEMBL
CHEMBL1352897
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Solubility10.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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