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

C15H21NO3S — CID 4984570

IUPAC3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1ccc(OCC)cc1
InChIInChI=1S/C15H21NO3S/c1-3-18-10-9-16-14(17)11-20-15(16)12-5-7-13(8-6-12)19-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyLFKSFCIDDBRQRW-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.70
Rot. Bonds7

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

3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4984570) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4984570
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1ccc(OCC)cc1
InChIInChI=1S/C15H21NO3S/c1-3-18-10-9-16-14(17)11-20-15(16)12-5-7-13(8-6-12)19-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyLFKSFCIDDBRQRW-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
3-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 23938288
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-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3870243
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3773919
2-(3-ethoxy-4-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazolidin-4-one
CID 3410937

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 4984570) is 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOCCN1C(=O)CSC1c1ccc(OCC)cc1.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LFKSFCIDDBRQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-18-10-9-16-14(17)11-20-15(16)12-5-7-13(8-6-12)19-4-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 295.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4984570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).