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

C20H15F2NO4S — CID 6388942

IUPAC(2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(OC(F)F)cc3)s2)cc1
InChIInChI=1S/C20H15F2NO4S/c1-26-14-8-4-13(5-9-14)16(24)11-18-23-19(25)17(28-18)10-12-2-6-15(7-3-12)27-20(21)22/h2-11,20H,1H3,(H,23,25)/b17-10+,18-11+
InChIKeyVFHRAIJLASPUOX-ODPUSEOTSA-N
MW403.41 g/mol
LogP2.54
Rot. Bonds6

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

(2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 6388942) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID6388942
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC Name(2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(OC(F)F)cc3)s2)cc1
InChIInChI=1S/C20H15F2NO4S/c1-26-14-8-4-13(5-9-14)16(24)11-18-23-19(25)17(28-18)10-12-2-6-15(7-3-12)27-20(21)22/h2-11,20H,1H3,(H,23,25)/b17-10+,18-11+
InChIKeyVFHRAIJLASPUOX-ODPUSEOTSA-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 (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 6388942) is (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(OC(F)F)cc3)s2)cc1.
What is the InChIKey of (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is VFHRAIJLASPUOX-ODPUSEOTSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c1-26-14-8-4-13(5-9-14)16(24)11-18-23-19(25)17(28-18)10-12-2-6-15(7-3-12)27-20(21)22/h2-11,20H,1H3,(H,23,25)/b17-10+,18-11+.
What are the key properties of (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2E,5E)-5-[[4-(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 (2E,5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6388942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).