(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one

C18H18N2O3S — CID 135563308

IUPAC(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)oc3C)S2)cc1
InChIInChI=1S/C18H18N2O3S/c1-4-22-15-7-5-14(6-8-15)19-18-20-17(21)16(24-18)10-13-9-11(2)23-12(13)3/h5-10H,4H2,1-3H3,(H,19,20,21)/b16-10-
InChIKeyDJGQOXZITPODDB-YBEGLDIGSA-N
MW342.42 g/mol
LogP4.19
Rot. Bonds4

About (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135563308) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135563308
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)oc3C)S2)cc1
InChIInChI=1S/C18H18N2O3S/c1-4-22-15-7-5-14(6-8-15)19-18-20-17(21)16(24-18)10-13-9-11(2)23-12(13)3/h5-10H,4H2,1-3H3,(H,19,20,21)/b16-10-
InChIKeyDJGQOXZITPODDB-YBEGLDIGSA-N
XLogP4.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139116
(5E)-5-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139196
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
(5Z)-2-(4-ethoxyphenyl)imino-5-[(5-iodofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135439009
(5E)-2-(4-ethoxyphenyl)imino-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137139130
(5Z)-2-(4-ethoxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136736934
(5E)-2-(4-ethoxyphenyl)imino-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137139474
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135645921
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135420895
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135645883
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137065155
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137080980

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135563308) is (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one is CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)oc3C)S2)cc1.
What is the InChIKey of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is DJGQOXZITPODDB-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-4-22-15-7-5-14(6-8-15)19-18-20-17(21)16(24-18)10-13-9-11(2)23-12(13)3/h5-10H,4H2,1-3H3,(H,19,20,21)/b16-10-.
What are the key properties of (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 342.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135563308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).