5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione

C11H11NO2S — CID 101057113

IUPAC5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
SMILESCC(c1ccccc1)C1SC(=O)NC1=O
InChIInChI=1S/C11H11NO2S/c1-7(8-5-3-2-4-6-8)9-10(13)12-11(14)15-9/h2-7,9H,1H3,(H,12,13,14)
InChIKeyGXUWYJSUGYEMSU-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.14
Rot. Bonds2

About 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione

5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 101057113) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
PubChem CID101057113
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
SMILESCC(c1ccccc1)C1SC(=O)NC1=O
InChIInChI=1S/C11H11NO2S/c1-7(8-5-3-2-4-6-8)9-10(13)12-11(14)15-9/h2-7,9H,1H3,(H,12,13,14)
InChIKeyGXUWYJSUGYEMSU-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
4-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoylamino]benzoic acid
CID 18807707
5-[(2S)-pent-4-yn-2-yl]-1,3-thiazolidine-2,4-dione
CID 118187718
3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79317878
5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 87066059
5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1,3-thiazolidine-2,4-dione
CID 137477697
2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate
CID 78429784
[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
CID 126633580
3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79321359
2-oxo-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124632025
2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 124632022
[(1R)-1-phenylethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607220

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione (CID 101057113) is 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione is CC(c1ccccc1)C1SC(=O)NC1=O.
What is the InChIKey of 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is GXUWYJSUGYEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7(8-5-3-2-4-6-8)9-10(13)12-11(14)15-9/h2-7,9H,1H3,(H,12,13,14).
What are the key properties of 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione?
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 221.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 101057113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).