5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H20N2O3S — CID 15751804

IUPAC5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCC(=O)c2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C20H20N2O3S/c1-2-13-5-8-16(21-12-13)9-10-17(23)15-6-3-14(4-7-15)11-18-19(24)22-20(25)26-18/h3-8,12,18H,2,9-11H2,1H3,(H,22,24,25)
InChIKeyFUNMWBQIOZTCKY-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.35
Rot. Bonds7

About 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 15751804) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID15751804
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCC(=O)c2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C20H20N2O3S/c1-2-13-5-8-16(21-12-13)9-10-17(23)15-6-3-14(4-7-15)11-18-19(24)22-20(25)26-18/h3-8,12,18H,2,9-11H2,1H3,(H,22,24,25)
InChIKeyFUNMWBQIOZTCKY-UHFFFAOYSA-N
XLogP3.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 87897089
CID 87897089
(2R,3S)-2,3-dibenzoyloxybutanedioic acid;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 50913271
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
(5S)-5-[[4-[2-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 40636986
(5S)-5-[[4-[2-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 144936621
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
1-[6-[2-[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate
CID 118430002
5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 157245471
5-[[4-[(2Z)-2-(5-ethyl-2-pyridinyl)-2-methoxyiminoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 56835831
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
carbamoylsulfamoylurea;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 174880221
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
CID 87413550

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 15751804) is 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCc1ccc(CCC(=O)c2ccc(CC3SC(=O)NC3=O)cc2)nc1.
What is the InChIKey of 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FUNMWBQIOZTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-13-5-8-16(21-12-13)9-10-17(23)15-6-3-14(4-7-15)11-18-19(24)22-20(25)26-18/h3-8,12,18H,2,9-11H2,1H3,(H,22,24,25).
What are the key properties of 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 368.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(5-ethyl-2-pyridinyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 15751804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).