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

C21H17F2NO5S — CID 16554362

IUPAC(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccc(OC)c3OC(F)F)s2)cc1
InChIInChI=1S/C21H17F2NO5S/c1-27-14-8-6-12(7-9-14)15(25)11-18-24-20(26)17(30-18)10-13-4-3-5-16(28-2)19(13)29-21(22)23/h3-11,21H,1-2H3,(H,24,26)/b17-10+,18-11+
InChIKeyGAUXQQGDZPYTQA-ODPUSEOTSA-N
MW433.43 g/mol
LogP2.55
Rot. Bonds7

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

(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 16554362) has the molecular formula C21H17F2NO5S and a molecular weight of 433.43 g/mol. Its IUPAC name is (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID16554362
Molecular FormulaC21H17F2NO5S
Molecular Weight433.43 g/mol
Exact Mass433.08
IUPAC Name(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccc(OC)c3OC(F)F)s2)cc1
InChIInChI=1S/C21H17F2NO5S/c1-27-14-8-6-12(7-9-14)15(25)11-18-24-20(26)17(30-18)10-13-4-3-5-16(28-2)19(13)29-21(22)23/h3-11,21H,1-2H3,(H,24,26)/b17-10+,18-11+
InChIKeyGAUXQQGDZPYTQA-ODPUSEOTSA-N
XLogP2.55
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 16554362) is (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccc(OC)c3OC(F)F)s2)cc1.
What is the InChIKey of (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is GAUXQQGDZPYTQA-ODPUSEOTSA-N. The full InChI is InChI=1S/C21H17F2NO5S/c1-27-14-8-6-12(7-9-14)15(25)11-18-24-20(26)17(30-18)10-13-4-3-5-16(28-2)19(13)29-21(22)23/h3-11,21H,1-2H3,(H,24,26)/b17-10+,18-11+.
What are the key properties of (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 433.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16554362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).