3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C19H21NO4S — CID 15854269

IUPAC3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21NO4S/c1-12-5-7-14(8-6-12)20-17(21)11-25-19(20)13-9-15(22-2)18(24-4)16(10-13)23-3/h5-10,19H,11H2,1-4H3
InChIKeySYXAGJRTGPJSCR-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 15854269) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID15854269
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21NO4S/c1-12-5-7-14(8-6-12)20-17(21)11-25-19(20)13-9-15(22-2)18(24-4)16(10-13)23-3/h5-10,19H,11H2,1-4H3
InChIKeySYXAGJRTGPJSCR-UHFFFAOYSA-N
XLogP3.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2840254
2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
CID 4577762
2-(4-Methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
2-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-phenyl)-thiazolidin-4-one
CID 653068
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-3,4,5-trimethoxybenzamide
CID 662843
N-[4-(diethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4,5-trimethoxybenzamide
CID 664698
3-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 1903141
3-[3-(Dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one hydrochloride
CID 2861396
2-(2,3-Dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 4055125
2-(2,3-Dimethoxyphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 4055126
3-(4-Methoxyphenyl)-2-thioxo-1-(3,4,5-trimethoxybenzyl)imidazolidin-4-one
CID 4168024
3-(4-Methylphenyl)-2-thioxo-1-(3,4,5-trimethoxybenzyl)imidazolidin-4-one
CID 4168025

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 15854269) is 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is SYXAGJRTGPJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-12-5-7-14(8-6-12)20-17(21)11-25-19(20)13-9-15(22-2)18(24-4)16(10-13)23-3/h5-10,19H,11H2,1-4H3.
What are the key properties of 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15854269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).