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

C22H21NO5S — CID 8832092

IUPAC(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3OC)[nH]c2=O)cc1OC
InChIInChI=1S/C22H21NO5S/c1-4-28-18-10-9-14(11-19(18)27-3)12-20-22(25)23-21(29-20)13-16(24)15-7-5-6-8-17(15)26-2/h5-13H,4H2,1-3H3,(H,23,25)/b20-12-,21-13-
InChIKeyFZHLXAXETNMTGD-FDYZEBBJSA-N
MW411.48 g/mol
LogP2.34
Rot. Bonds7

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

(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 8832092) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID8832092
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Name(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3OC)[nH]c2=O)cc1OC
InChIInChI=1S/C22H21NO5S/c1-4-28-18-10-9-14(11-19(18)27-3)12-20-22(25)23-21(29-20)13-16(24)15-7-5-6-8-17(15)26-2/h5-13H,4H2,1-3H3,(H,23,25)/b20-12-,21-13-
InChIKeyFZHLXAXETNMTGD-FDYZEBBJSA-N
XLogP2.34
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8831834
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 6212697
(2Z,5Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16554365
2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 71902885
(2Z,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-2-pyridin-4-ylethylidene)-1,3-thiazolidin-4-one
CID 37172603
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830799
(2Z,5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831734
2-(3,3-dimethyl-2-oxobutylidene)-5-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 4786093
[4-[(Z)-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
CID 6212280

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 8832092) is (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is CCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3OC)[nH]c2=O)cc1OC.
What is the InChIKey of (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is FZHLXAXETNMTGD-FDYZEBBJSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-4-28-18-10-9-14(11-19(18)27-3)12-20-22(25)23-21(29-20)13-16(24)15-7-5-6-8-17(15)26-2/h5-13H,4H2,1-3H3,(H,23,25)/b20-12-,21-13-.
What are the key properties of (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 411.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8832092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).