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

C19H19NO5S — CID 123382630

IUPAC4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one
SMILESCOc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3O)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-24-14-8-4-13(5-9-14)16(21)11-25-15-6-2-12(3-7-15)10-17-18(22)20-19(23)26-17/h2-9,17-18,22H,10-11H2,1H3,(H,20,23)
InChIKeyKTYVSWDBIXNAAF-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.64
Rot. Bonds7

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

4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one (PubChem CID 123382630) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one
PubChem CID123382630
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one
SMILESCOc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3O)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-24-14-8-4-13(5-9-14)16(21)11-25-15-6-2-12(3-7-15)10-17-18(22)20-19(23)26-17/h2-9,17-18,22H,10-11H2,1H3,(H,20,23)
InChIKeyKTYVSWDBIXNAAF-UHFFFAOYSA-N
XLogP2.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-4-methyl-3H-1,3-thiazol-2-one
CID 123451977
5-[[4-[2-[4-(1,1-difluoropropoxy)phenyl]-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308020
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
(1R,2R,7S,11S,12S)-11,12-dihydroxy-4-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 176618282
5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
5-[[4-[2-(3-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230267
5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone
CID 144721169
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
CID 134863514
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one (CID 123382630) is 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one is COc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3O)cc2)cc1.
What is the InChIKey of 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one?
The InChIKey is KTYVSWDBIXNAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-24-14-8-4-13(5-9-14)16(21)11-25-15-6-2-12(3-7-15)10-17-18(22)20-19(23)26-17/h2-9,17-18,22H,10-11H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one?
4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one has a molecular weight of 373.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 123382630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).