1-[5-(Furan-2-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
Basic information
- CAS
866050-37-5- Standard SMILES
O=C1N=C(N2CCC(C(=O)O)CC2)SC1=Cc1ccco1- InChIKey
ZPUDCARBRRDYJA-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
Names & identifiers
- Preferred name
- 1-[5-(Furan-2-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
- IUPAC
- 1-[5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
- English name
- 1-(5-[(E)-2-Furylmethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-4-piperidinecarboxylic acid
- Molecular formula
- C14H14N2O4S
- Molecular weight
- 306.34
Names & synonyms
AKOS0302451411-{5-[(E)-2-furylmethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}-4-piperidinecarboxylic acid866050-37-54-Piperidinecarboxylic acid, 1-[5-(2-furanylmethylene)-4,5-dihydro-4-oxo-2-thiazolyl]-1-(5-[(E)-2-Furylmethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-4-piperidinecarboxylic acid1-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
Database identifiers
- CAS
866050-37-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Boiling point
- 506.6 · 506.6±60.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.20(Predicted)
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