5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C20H15F2NO4S — CID 4824280

IUPAC5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccccc3OC(F)F)s2)cc1
InChIInChI=1S/C20H15F2NO4S/c1-26-14-8-6-12(7-9-14)15(24)11-18-23-19(25)17(28-18)10-13-4-2-3-5-16(13)27-20(21)22/h2-11,20H,1H3,(H,23,25)
InChIKeyZKOPUMHTVAOAGB-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.54
Rot. Bonds6

About 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4824280) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4824280
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC Name5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccccc3OC(F)F)s2)cc1
InChIInChI=1S/C20H15F2NO4S/c1-26-14-8-6-12(7-9-14)15(24)11-18-23-19(25)17(28-18)10-13-4-2-3-5-16(13)27-20(21)22/h2-11,20H,1H3,(H,23,25)
InChIKeyZKOPUMHTVAOAGB-UHFFFAOYSA-N
XLogP2.54
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4824280) is 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccccc3OC(F)F)s2)cc1.
What is the InChIKey of 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZKOPUMHTVAOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c1-26-14-8-6-12(7-9-14)15(24)11-18-23-19(25)17(28-18)10-13-4-2-3-5-16(13)27-20(21)22/h2-11,20H,1H3,(H,23,25).
What are the key properties of 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 403.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4824280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).