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

C17H18N2O2S — CID 3387422

IUPAC2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C2SCC(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-21-15-5-3-14(4-6-15)17-19(16(20)12-22-17)11-13-7-9-18-10-8-13/h3-10,17H,2,11-12H2,1H3
InChIKeyHRCJEFQWNVKTTK-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.25
Rot. Bonds5

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

2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3387422) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3387422
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C2SCC(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-21-15-5-3-14(4-6-15)17-19(16(20)12-22-17)11-13-7-9-18-10-8-13/h3-10,17H,2,11-12H2,1H3
InChIKeyHRCJEFQWNVKTTK-UHFFFAOYSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
3-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 23938288
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3836068
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 28632560
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92675049
2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3857419
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4984571

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (CID 3387422) is 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is CCOc1ccc(C2SCC(=O)N2Cc2ccncc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is HRCJEFQWNVKTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-21-15-5-3-14(4-6-15)17-19(16(20)12-22-17)11-13-7-9-18-10-8-13/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3387422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).