3,3'-(Ethane-1,2-diyl)bis(2-(pyridin-3-yl)-1,3-thiazolidin-4-one)
Basic information
- CAS
131420-43-4- Standard SMILES
O=C1CS[C@H](c2cccnc2)N1CCN1C(=O)CS[C@@H]1c1cccnc1- InChIKey
GKVUODRVRSGRAM-QZTJIDSGSA-N- Molecular formula
- C18H18N4O2S2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.08711818
Names & identifiers
- Preferred name
- 3,3'-(Ethane-1,2-diyl)bis(2-(pyridin-3-yl)-1,3-thiazolidin-4-one)
- IUPAC
- (2R)-3-[2-[(2R)-4-oxo-2-pyridin-3-yl-1,3-thiazolidin-3-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
- English name
- Brn 4239698
- Molecular formula
- C18H18N4O2S2
- Molecular weight
- 386.49
Names & synonyms
131420-43-4DTXSID909271913,3'-(Ethane-1,2-diyl)bis(2-(pyridin-3-yl)-1,3-thiazolidin-4-one)3,3'-(Ethane-1,2-diyl)bis[2-(pyridin-3-yl)-1,3-thiazolidin-4-one]RefChem:1065537DTXCID101355990BRN 4239698(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(3-pyridinyl)-4-thiazolidinone)(R*,R*)-(+-)-3,3'-(1,2-Ethanediyl)bis(2-(2-pyridinyl)-4-thiazolidinone)4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-pyridinyl)-, (R*,R*)-(+-)-4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(3-pyridinyl)-, (R*,S*)-131420-44-5
Show more names
4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis[2-(3-pyridinyl)-, (R*,S*)- (9CI)
(2R,2'R)-3,3'-(Ethane-1,2-diyl)bis[2-(pyridin-3-yl)-1,3-thiazolidin-4-one]
Database identifiers
- CAS
131420-43-4、131420-44-5- PubChem CID
- 3076476
- DTXSID
DTXSID90927191
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Melting point
- 221 · 221-223 °C
- Boiling point
- 719.4 · 719.4±60.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±0.12(Predicted)
- EWG's Food Scores
- 1 · 1
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Compound notes
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