3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one

C13H17NO2S — CID 3863407

IUPAC3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H17NO2S/c1-2-16-9-8-14-12(15)10-17-13(14)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyQIIJZEATDJBKMM-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.30
Rot. Bonds5

About 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one

3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 3863407) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID3863407
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H17NO2S/c1-2-16-9-8-14-12(15)10-17-13(14)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyQIIJZEATDJBKMM-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
2-(3-bromo-4-fluorophenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3855786
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3773919
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3870243
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3846130
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one (CID 3863407) is 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one is CCOCCN1C(=O)CSC1c1ccccc1.
What is the InChIKey of 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is QIIJZEATDJBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-16-9-8-14-12(15)10-17-13(14)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 251.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3863407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).