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

C18H20N2O2S — CID 3789673

IUPAC2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(C2SCC(=O)N2CCc2cccnc2)c1
InChIInChI=1S/C18H20N2O2S/c1-2-22-16-7-3-6-15(11-16)18-20(17(21)13-23-18)10-8-14-5-4-9-19-12-14/h3-7,9,11-12,18H,2,8,10,13H2,1H3
InChIKeyFHEUDPFLXFRESG-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.30
Rot. Bonds6

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

2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3789673) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3789673
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(C2SCC(=O)N2CCc2cccnc2)c1
InChIInChI=1S/C18H20N2O2S/c1-2-22-16-7-3-6-15(11-16)18-20(17(21)13-23-18)10-8-14-5-4-9-19-12-14/h3-7,9,11-12,18H,2,8,10,13H2,1H3
InChIKeyFHEUDPFLXFRESG-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-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494
2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3477965
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
methyl 4-[4-oxo-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3712596
2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 10339790
3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3836068
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
2-(1,3-benzodioxol-4-yl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3730559
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964440
2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 10271267

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (CID 3789673) is 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is CCOc1cccc(C2SCC(=O)N2CCc2cccnc2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is FHEUDPFLXFRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-22-16-7-3-6-15(11-16)18-20(17(21)13-23-18)10-8-14-5-4-9-19-12-14/h3-7,9,11-12,18H,2,8,10,13H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
2-(3-ethoxyphenyl)-3-(2-pyridin-3-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-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3789673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).