(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C18H17N3O4S — CID 18841781

IUPAC(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccn3)N(C)C2=O)cc(OC)c1O
InChIInChI=1S/C18H17N3O4S/c1-21-17(23)14(26-18(21)20-15-6-4-5-7-19-15)10-11-8-12(24-2)16(22)13(9-11)25-3/h4-10,22H,1-3H3/b14-10-,20-18+
InChIKeyVMUUDJIQYNJBJG-JGPYXXRJSA-N
MW371.42 g/mol
LogP3.04
Rot. Bonds4

About (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841781) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841781
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccn3)N(C)C2=O)cc(OC)c1O
InChIInChI=1S/C18H17N3O4S/c1-21-17(23)14(26-18(21)20-15-6-4-5-7-19-15)10-11-8-12(24-2)16(22)13(9-11)25-3/h4-10,22H,1-3H3/b14-10-,20-18+
InChIKeyVMUUDJIQYNJBJG-JGPYXXRJSA-N
XLogP3.04
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842501
4-[(Z)-[(2E)-3-methyl-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18841767
(2E,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842708
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842037
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27436653
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841745
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 1232044
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841775
(2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841735
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486853
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1251620

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841781) is (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3ccccn3)N(C)C2=O)cc(OC)c1O.
What is the InChIKey of (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is VMUUDJIQYNJBJG-JGPYXXRJSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-21-17(23)14(26-18(21)20-15-6-4-5-7-19-15)10-11-8-12(24-2)16(22)13(9-11)25-3/h4-10,22H,1-3H3/b14-10-,20-18+.
What are the key properties of (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 371.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).