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

C18H16N2O4S — CID 135438929

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1OC
InChIInChI=1S/C18H16N2O4S/c1-23-14-8-3-11(9-15(14)24-2)10-16-17(22)20-18(25-16)19-12-4-6-13(21)7-5-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
InChIKeySNCKEEGXLAIPJN-YBEGLDIGSA-N
MW356.40 g/mol
LogP3.30
Rot. Bonds4

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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135438929) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135438929
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1OC
InChIInChI=1S/C18H16N2O4S/c1-23-14-8-3-11(9-15(14)24-2)10-16-17(22)20-18(25-16)19-12-4-6-13(21)7-5-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
InChIKeySNCKEEGXLAIPJN-YBEGLDIGSA-N
XLogP3.30
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
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

5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
(2z,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Methoxybenzylidene)-1,3-Thiazolidin-4-One
CID 135401109
(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
5-{4-[(2-Fluorobenzyl)oxy]-3-methoxybenzylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135404028
5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
(2Z,5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135541115
3-(4-Fluorophenyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1360981
3-{[(2E,5Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
CID 5766622
3-{[(2E,5Z)-5-(3,4-dimethoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
CID 5766628

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 135438929) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SNCKEEGXLAIPJN-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-23-14-8-3-11(9-15(14)24-2)10-16-17(22)20-18(25-16)19-12-4-6-13(21)7-5-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 356.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135438929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).