2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one

C18H20N2O2S — CID 3871802

IUPAC2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1C1SCC(=O)N1CCc1ccncc1
InChIInChI=1S/C18H20N2O2S/c1-2-22-16-6-4-3-5-15(16)18-20(17(21)13-23-18)12-9-14-7-10-19-11-8-14/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeyWYGMSMCWACDFPB-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.30
Rot. Bonds6

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

2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3871802) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3871802
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1C1SCC(=O)N1CCc1ccncc1
InChIInChI=1S/C18H20N2O2S/c1-2-22-16-6-4-3-5-15(16)18-20(17(21)13-23-18)12-9-14-7-10-19-11-8-14/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeyWYGMSMCWACDFPB-UHFFFAOYSA-N
XLogP3.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3834473
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3861067
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
3-[2-(4-nitrophenyl)ethyl]-2-[2-[3-(propan-2-ylamino)propoxy]phenyl]-1,3-thiazolidin-4-one
CID 21404633
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4586715
2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3789673
N-[(2-ethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43915352
ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
CID 23737861
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
3-(3-butoxypropyl)-2-(2-prop-2-enoxyphenyl)-1,3-thiazolidin-4-one
CID 4679956
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one (CID 3871802) is 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one is CCOc1ccccc1C1SCC(=O)N1CCc1ccncc1.
What is the InChIKey of 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is WYGMSMCWACDFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-22-16-6-4-3-5-15(16)18-20(17(21)13-23-18)12-9-14-7-10-19-11-8-14/h3-8,10-11,18H,2,9,12-13H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one?
2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 328.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3871802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).