2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one

C19H18F3NO4S — CID 87152821

IUPAC2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H18F3NO4S/c1-25-14-8-5-9-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-3-4-7-13(12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3
InChIKeyVJPULUSQMASNHW-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.38
Rot. Bonds6

About 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one

2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 87152821) has the molecular formula C19H18F3NO4S and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID87152821
Molecular FormulaC19H18F3NO4S
Molecular Weight413.42 g/mol
Exact Mass413.09
IUPAC Name2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H18F3NO4S/c1-25-14-8-5-9-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-3-4-7-13(12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3
InChIKeyVJPULUSQMASNHW-UHFFFAOYSA-N
XLogP4.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Methoxybenzyloxy)-2-phenylthiazolidin-4-one
CID 44418200
2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
2-(2,6-Dimethoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 49805788
5-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
CID 69085010
3-Benzyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 396391
3-Benzyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2840313
N-(2,6-dimethoxybenzyl)-3-[(2-fluorobenzyl)thio]propanamide
CID 5053574
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(2-(trifluoromethoxy)benzyl)pyrrolidin-2-one
CID 69083547
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-((trifluoromethyl)thio)benzyl)pyrrolidin-2-one
CID 69085146
N-[(2,4-Dimethoxyphenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}acetamide
CID 3332473
(5Z)-5-(2,4-dimethoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
CID 6505773
2-(2,6-Dimethoxyphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 513670

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one (CID 87152821) is 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one is COc1cccc(OC)c1C1SCC(=O)N1Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is VJPULUSQMASNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4S/c1-25-14-8-5-9-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-3-4-7-13(12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 413.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 87152821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).