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

C18H16N2O3S — CID 135700421

IUPAC(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(O)c1
InChIInChI=1S/C18H16N2O3S/c1-2-23-14-9-8-12(15(21)11-14)10-16-17(22)20-18(24-16)19-13-6-4-3-5-7-13/h3-11,21H,2H2,1H3,(H,19,20,22)/b16-10-
InChIKeyXZRPDYCCQQQNBU-YBEGLDIGSA-N
MW340.40 g/mol
LogP3.68
Rot. Bonds4

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

(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135700421) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135700421
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(O)c1
InChIInChI=1S/C18H16N2O3S/c1-2-23-14-9-8-12(15(21)11-14)10-16-17(22)20-18(24-16)19-13-6-4-3-5-7-13/h3-11,21H,2H2,1H3,(H,19,20,22)/b16-10-
InChIKeyXZRPDYCCQQQNBU-YBEGLDIGSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
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

5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
(5E)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137079687
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414214
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135645883
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563308
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135645921
(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139116
ethyl 2-[2-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 137079508
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135810389
[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 135492730

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135700421) is (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(O)c1.
What is the InChIKey of (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is XZRPDYCCQQQNBU-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-23-14-9-8-12(15(21)11-14)10-16-17(22)20-18(24-16)19-13-6-4-3-5-7-13/h3-11,21H,2H2,1H3,(H,19,20,22)/b16-10-.
What are the key properties of (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135700421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).