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

C25H25NO4S — CID 87151052

IUPAC2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO4S/c1-28-21-9-6-10-22(29-2)24(21)25-26(23(27)17-31-25)15-18-11-13-20(14-12-18)30-16-19-7-4-3-5-8-19/h3-14,25H,15-17H2,1-2H3
InChIKeyCOKFBFXQISUESA-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.06
Rot. Bonds8

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

2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 87151052) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID87151052
Molecular FormulaC25H25NO4S
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Name2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO4S/c1-28-21-9-6-10-22(29-2)24(21)25-26(23(27)17-31-25)15-18-11-13-20(14-12-18)30-16-19-7-4-3-5-8-19/h3-14,25H,15-17H2,1-2H3
InChIKeyCOKFBFXQISUESA-UHFFFAOYSA-N
XLogP5.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87150884
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
CID 87150687
2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 87152821
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 87151052) is 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is COKFBFXQISUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4S/c1-28-21-9-6-10-22(29-2)24(21)25-26(23(27)17-31-25)15-18-11-13-20(14-12-18)30-16-19-7-4-3-5-8-19/h3-14,25H,15-17H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 435.55 g/mol, XLogP of 5.06, 8 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-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 87151052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).