3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one

C21H25NO6S — CID 3814721

IUPAC3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CSC2c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C21H25NO6S/c1-24-14-5-7-15(8-6-14)28-12-11-22-18(23)13-29-21(22)16-9-10-17(25-2)20(27-4)19(16)26-3/h5-10,21H,11-13H2,1-4H3
InChIKeyBWKCTIZYERWVHQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.37
Rot. Bonds9

About 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3814721) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3814721
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CSC2c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C21H25NO6S/c1-24-14-5-7-15(8-6-14)28-12-11-22-18(23)13-29-21(22)16-9-10-17(25-2)20(27-4)19(16)26-3/h5-10,21H,11-13H2,1-4H3
InChIKeyBWKCTIZYERWVHQ-UHFFFAOYSA-N
XLogP3.37
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3505404
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3866950

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3814721) is 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(OCCN2C(=O)CSC2c2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is BWKCTIZYERWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-24-14-5-7-15(8-6-14)28-12-11-22-18(23)13-29-21(22)16-9-10-17(25-2)20(27-4)19(16)26-3/h5-10,21H,11-13H2,1-4H3.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 419.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3814721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).