3-(2-phenylacetyl)-1,3-thiazolidin-2-one

C11H11NO2S — CID 16752988

IUPAC3-(2-phenylacetyl)-1,3-thiazolidin-2-one
SMILESO=C(Cc1ccccc1)N1CCSC1=O
InChIInChI=1S/C11H11NO2S/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyYRMLBXFCAZJSPN-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.92
Rot. Bonds2

About 3-(2-phenylacetyl)-1,3-thiazolidin-2-one

3-(2-phenylacetyl)-1,3-thiazolidin-2-one (PubChem CID 16752988) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(2-phenylacetyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-phenylacetyl)-1,3-thiazolidin-2-one
PubChem CID16752988
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-(2-phenylacetyl)-1,3-thiazolidin-2-one
SMILESO=C(Cc1ccccc1)N1CCSC1=O
InChIInChI=1S/C11H11NO2S/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyYRMLBXFCAZJSPN-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
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(2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 23645384
3-Ethyl-5-benzoylrhodanine
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3-(2-Oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 652953
3-Benzoylthiazolidine-2-thione
CID 839954
4-Phenyl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazolidin-3-yl]-butan-1-one
CID 14672252
(R)-3-Amino-4-(2-fluoro-phenyl)-1-thiazolidin-3-yl-butan-1-one
CID 44394238
(R)-3-Amino-4-phenyl-1-thiazolidin-3-yl-butan-1-one
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3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylacetyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-phenylacetyl)-1,3-thiazolidin-2-one (CID 16752988) is 3-(2-phenylacetyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-phenylacetyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-phenylacetyl)-1,3-thiazolidin-2-one is O=C(Cc1ccccc1)N1CCSC1=O.
What is the InChIKey of 3-(2-phenylacetyl)-1,3-thiazolidin-2-one?
The InChIKey is YRMLBXFCAZJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3-(2-phenylacetyl)-1,3-thiazolidin-2-one?
3-(2-phenylacetyl)-1,3-thiazolidin-2-one has a molecular weight of 221.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylacetyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 16752988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).