potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione

C19H17KN2O4S — CID 53354338

IUPACpotassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
SMILESCCc1ccc(C(=O)COc2ccc(CC3SC(=O)[N-]C3=O)cc2)nc1.[K+]
InChIInChI=1S/C19H18N2O4S.K/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17;/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24);/q;+1/p-1
InChIKeyBITXWGSHQGLFDD-UHFFFAOYSA-M
MW408.52 g/mol
LogP0.59
Rot. Bonds7

About potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione

potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione (PubChem CID 53354338) has the molecular formula C19H17KN2O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namepotassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
PubChem CID53354338
Molecular FormulaC19H17KN2O4S
Molecular Weight408.52 g/mol
Exact Mass408.05
IUPAC Namepotassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
SMILESCCc1ccc(C(=O)COc2ccc(CC3SC(=O)[N-]C3=O)cc2)nc1.[K+]
InChIInChI=1S/C19H18N2O4S.K/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17;/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24);/q;+1/p-1
InChIKeyBITXWGSHQGLFDD-UHFFFAOYSA-M
XLogP0.59
TPSA87.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione with MolForge

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Related Compounds

5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 158184143
deuterium monohydride;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;2-oxopropanoic acid
CID 161028195
ethane;1-(5-ethyl-2-pyridinyl)-2-(4-methylphenoxy)ethanone;1,3-thiazolidine-2,4-dione
CID 144721182
5-[[4-[(2Z)-2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 56835831
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-iminoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 88564884
disodium;2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-id-5-yl)methyl]phenoxy]phenyl]acetate
CID 140645891
potassium 5-[[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
CID 53353442
CID 87897089
CID 87897089
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one
CID 123651581
5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
CID 123189296

Frequently Asked Questions

What is the IUPAC name of potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione?
The IUPAC name of potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione (CID 53354338) is potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione.
What is the SMILES notation for potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione?
The canonical SMILES for potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione is CCc1ccc(C(=O)COc2ccc(CC3SC(=O)[N-]C3=O)cc2)nc1.[K+].
What is the InChIKey of potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione?
The InChIKey is BITXWGSHQGLFDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O4S.K/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17;/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24);/q;+1/p-1.
What are the key properties of potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione?
potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione has a molecular weight of 408.52 g/mol, XLogP of 0.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione is sourced from PubChem (CID 53354338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).