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

C20H20N2O4S — CID 177376640

IUPAC(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C/N=C2\NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)12-21-20-22-19(23)18(27-20)10-14-6-9-16(25-2)11-17(14)26-3/h4-11H,12H2,1-3H3,(H,21,22,23)/b18-10-
InChIKeyCOKKDMWHNVVXCS-ZDLGFXPLSA-N
MW384.46 g/mol
LogP3.47
Rot. Bonds6

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

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one (PubChem CID 177376640) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
PubChem CID177376640
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C/N=C2\NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)12-21-20-22-19(23)18(27-20)10-14-6-9-16(25-2)11-17(14)26-3/h4-11H,12H2,1-3H3,(H,21,22,23)/b18-10-
InChIKeyCOKKDMWHNVVXCS-ZDLGFXPLSA-N
XLogP3.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135531577
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500973
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137207064
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
2-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135522740
(5Z)-2-(3-chlorophenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522684
2-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765870
(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 161203025
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135438909
ethyl 4-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166068
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137230485

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one (CID 177376640) is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one is COc1ccc(C/N=C2\NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1.
What is the InChIKey of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one?
The InChIKey is COKKDMWHNVVXCS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)12-21-20-22-19(23)18(27-20)10-14-6-9-16(25-2)11-17(14)26-3/h4-11H,12H2,1-3H3,(H,21,22,23)/b18-10-.
What are the key properties of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one?
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 177376640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).