5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

C19H16FNO4S — CID 158311508

IUPAC5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
SMILESCC1(Cc2ccc(OCC(=O)c3ccc(F)cc3)cc2)SC(=O)NC1=O
InChIInChI=1S/C19H16FNO4S/c1-19(17(23)21-18(24)26-19)10-12-2-8-15(9-3-12)25-11-16(22)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,21,23,24)
InChIKeyXREJOKSRHRAVTD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.37
Rot. Bonds6

About 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 158311508) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
PubChem CID158311508
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
SMILESCC1(Cc2ccc(OCC(=O)c3ccc(F)cc3)cc2)SC(=O)NC1=O
InChIInChI=1S/C19H16FNO4S/c1-19(17(23)21-18(24)26-19)10-12-2-8-15(9-3-12)25-11-16(22)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,21,23,24)
InChIKeyXREJOKSRHRAVTD-UHFFFAOYSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.37
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

(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(3-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-methyl-5-[(4-phenacyloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione;(5S)-5-methyl-5-[(4-phenacyloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 165015889
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CID 60623791
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
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CID 46175712
5-[[4-[2-[4-(1,1-difluoropropoxy)phenyl]-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308020
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CID 165055257
5-[[4-[2-(3-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230267
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (CID 158311508) is 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is CC1(Cc2ccc(OCC(=O)c3ccc(F)cc3)cc2)SC(=O)NC1=O.
What is the InChIKey of 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is XREJOKSRHRAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-19(17(23)21-18(24)26-19)10-12-2-8-15(9-3-12)25-11-16(22)13-4-6-14(20)7-5-13/h2-9H,10-11H2,1H3,(H,21,23,24).
What are the key properties of 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158311508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).