(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C20H20N2O5S — CID 135834313

IUPAC(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3cc(C)ccc3O)NC2=O)c(OC)c1OC
InChIInChI=1S/C20H20N2O5S/c1-11-5-7-14(23)13(9-11)21-20-22-19(24)16(28-20)10-12-6-8-15(25-2)18(27-4)17(12)26-3/h5-10,23H,1-4H3,(H,21,22,24)/b16-10-
InChIKeyAZVJMQGPOOYUBS-YBEGLDIGSA-N
MW400.46 g/mol
LogP3.62
Rot. Bonds5

About (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135834313) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135834313
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3cc(C)ccc3O)NC2=O)c(OC)c1OC
InChIInChI=1S/C20H20N2O5S/c1-11-5-7-14(23)13(9-11)21-20-22-19(24)16(28-20)10-12-6-8-15(25-2)18(27-4)17(12)26-3/h5-10,23H,1-4H3,(H,21,22,24)/b16-10-
InChIKeyAZVJMQGPOOYUBS-YBEGLDIGSA-N
XLogP3.62
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 137162664
(5E)-2-(4-methoxyphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135435583
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135421039
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(2-hydroxy-5-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135834310
(5E)-2-(2-hydroxy-5-methylphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135834294
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137119004
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135489761
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118694
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135535310
[4-[(Z)-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-3-nitrophenyl] acetate
CID 137089355
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135497528
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 137064697

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135834313) is (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/c3cc(C)ccc3O)NC2=O)c(OC)c1OC.
What is the InChIKey of (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AZVJMQGPOOYUBS-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-11-5-7-14(23)13(9-11)21-20-22-19(24)16(28-20)10-12-6-8-15(25-2)18(27-4)17(12)26-3/h5-10,23H,1-4H3,(H,21,22,24)/b16-10-.
What are the key properties of (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 400.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-hydroxy-5-methylphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135834313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).