5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one

C18H16ClNO4S — CID 123713366

IUPAC5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
SMILESO=C(COc1ccc(CC2SC(O)NC2=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClNO4S/c19-13-3-1-2-12(9-13)15(21)10-24-14-6-4-11(5-7-14)8-16-17(22)20-18(23)25-16/h1-7,9,16,18,23H,8,10H2,(H,20,22)
InChIKeyLTQUFSLTBZOYGQ-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.65
Rot. Bonds6

About 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one

5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one (PubChem CID 123713366) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
PubChem CID123713366
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
SMILESO=C(COc1ccc(CC2SC(O)NC2=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClNO4S/c19-13-3-1-2-12(9-13)15(21)10-24-14-6-4-11(5-7-14)8-16-17(22)20-18(23)25-16/h1-7,9,16,18,23H,8,10H2,(H,20,22)
InChIKeyLTQUFSLTBZOYGQ-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[2-(3-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230267
1-(3-chlorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413945
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
CID 123189296
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
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
5-[[4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethoxy]phenyl]methyl]thiolane-2,4-dione
CID 71100579
5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
CID 170008693
5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone
CID 144721169
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
5-[[4-[2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46911037
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one (CID 123713366) is 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one is O=C(COc1ccc(CC2SC(O)NC2=O)cc1)c1cccc(Cl)c1.
What is the InChIKey of 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one?
The InChIKey is LTQUFSLTBZOYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c19-13-3-1-2-12(9-13)15(21)10-24-14-6-4-11(5-7-14)8-16-17(22)20-18(23)25-16/h1-7,9,16,18,23H,8,10H2,(H,20,22).
What are the key properties of 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one?
5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one has a molecular weight of 377.85 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one is sourced from PubChem (CID 123713366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).