5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone

C19H19NO6S — CID 144721169

IUPAC5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone
SMILESCOc1cccc(C(=O)COc2ccc(C)cc2)c1.O=C1NC(=O)C(O)S1
InChIInChI=1S/C16H16O3.C3H3NO3S/c1-12-6-8-14(9-7-12)19-11-16(17)13-4-3-5-15(10-13)18-2;5-1-2(6)8-3(7)4-1/h3-10H,11H2,1-2H3;2,6H,(H,4,5,7)
InChIKeyKTQOPELEOLCNGM-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.55
Rot. Bonds5

About 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone

5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone (PubChem CID 144721169) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone
PubChem CID144721169
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone
SMILESCOc1cccc(C(=O)COc2ccc(C)cc2)c1.O=C1NC(=O)C(O)S1
InChIInChI=1S/C16H16O3.C3H3NO3S/c1-12-6-8-14(9-7-12)19-11-16(17)13-4-3-5-15(10-13)18-2;5-1-2(6)8-3(7)4-1/h3-10H,11H2,1-2H3;2,6H,(H,4,5,7)
InChIKeyKTQOPELEOLCNGM-UHFFFAOYSA-N
XLogP2.55
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
5-[[4-[2-(3-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230267
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
(5Z)-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 66571880
(1S,2S,6R,7S)-4-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 18153901
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
2-[4-(2-hydroxybutyl)phenoxy]-1-(3-methoxyphenyl)ethanone
CID 123650262
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone (CID 144721169) is 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone is COc1cccc(C(=O)COc2ccc(C)cc2)c1.O=C1NC(=O)C(O)S1.
What is the InChIKey of 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone?
The InChIKey is KTQOPELEOLCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.C3H3NO3S/c1-12-6-8-14(9-7-12)19-11-16(17)13-4-3-5-15(10-13)18-2;5-1-2(6)8-3(7)4-1/h3-10H,11H2,1-2H3;2,6H,(H,4,5,7).
What are the key properties of 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone?
5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone has a molecular weight of 389.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-thiazolidine-2,4-dione;1-(3-methoxyphenyl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 144721169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).