3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C10H16N2O3S — CID 79028449

IUPAC3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H16N2O3S/c13-5-8-2-1-3-12(8)9(14)4-11-7-16-6-10(11)15/h8,13H,1-7H2/t8-/m0/s1
InChIKeyQBIFXFHLBXYVBF-QMMMGPOBSA-N
MW244.32 g/mol
LogP-0.50
Rot. Bonds3

About 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 79028449) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID79028449
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H16N2O3S/c13-5-8-2-1-3-12(8)9(14)4-11-7-16-6-10(11)15/h8,13H,1-7H2/t8-/m0/s1
InChIKeyQBIFXFHLBXYVBF-QMMMGPOBSA-N
XLogP-0.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 62468958
methyl 2-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-2-yl]acetate
CID 61010949
3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95347001
3-[2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 96511067
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 71872990
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 66260935
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
CID 129381156
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 63764134
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropanenitrile
CID 61409516
2-[acetyl-[(4S)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129332794

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 79028449) is 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1CCC[C@H]1CO.
What is the InChIKey of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is QBIFXFHLBXYVBF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-5-8-2-1-3-12(8)9(14)4-11-7-16-6-10(11)15/h8,13H,1-7H2/t8-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 244.32 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 79028449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).