3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one

C26H27NO5S — CID 3769250

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC
InChIInChI=1S/C26H27NO5S/c1-29-21-11-9-19(13-23(21)30-2)15-27-25(28)17-33-26(27)20-10-12-22(24(14-20)31-3)32-16-18-7-5-4-6-8-18/h4-14,26H,15-17H2,1-3H3
InChIKeyCPUXROFROKCFMI-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.07
Rot. Bonds9

About 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one

3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3769250) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3769250
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC
InChIInChI=1S/C26H27NO5S/c1-29-21-11-9-19(13-23(21)30-2)15-27-25(28)17-33-26(27)20-10-12-22(24(14-20)31-3)32-16-18-7-5-4-6-8-18/h4-14,26H,15-17H2,1-3H3
InChIKeyCPUXROFROKCFMI-UHFFFAOYSA-N
XLogP5.07
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 23848088
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 4987041
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
benzyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3321472
3-(1H-benzimidazol-2-ylmethyl)-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23738121

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (CID 3769250) is 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is CPUXROFROKCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-29-21-11-9-19(13-23(21)30-2)15-27-25(28)17-33-26(27)20-10-12-22(24(14-20)31-3)32-16-18-7-5-4-6-8-18/h4-14,26H,15-17H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 465.57 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3769250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).