3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C15H17FN2O3S — CID 129481575

IUPAC3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H17FN2O3S/c16-11-3-1-2-10(4-11)13-5-12(19)6-18(13)14(20)7-17-9-22-8-15(17)21/h1-4,12-13,19H,5-9H2/t12-,13+/m1/s1
InChIKeyLXFDBAHLXRYWAR-OLZOCXBDSA-N
MW324.38 g/mol
LogP0.99
Rot. Bonds3

About 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 129481575) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID129481575
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H17FN2O3S/c16-11-3-1-2-10(4-11)13-5-12(19)6-18(13)14(20)7-17-9-22-8-15(17)21/h1-4,12-13,19H,5-9H2/t12-,13+/m1/s1
InChIKeyLXFDBAHLXRYWAR-OLZOCXBDSA-N
XLogP0.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 129481574
4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 100720986
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 129480640
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-propylhexan-1-one
CID 129481580
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-oxo-N-(2,2,2-trifluoroethyl)propanamide
CID 100721553
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 100720687
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 128964220
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100721515
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 128972536
4-[2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481433
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 100721362

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 129481575) is 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is LXFDBAHLXRYWAR-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c16-11-3-1-2-10(4-11)13-5-12(19)6-18(13)14(20)7-17-9-22-8-15(17)21/h1-4,12-13,19H,5-9H2/t12-,13+/m1/s1.
What are the key properties of 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 129481575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).