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

C17H14N2O3S — CID 135478932

IUPAC(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2/S/C(=N\c3ccccc3O)NC2=O)c1
InChIInChI=1S/C17H14N2O3S/c1-22-12-6-4-5-11(9-12)10-15-16(21)19-17(23-15)18-13-7-2-3-8-14(13)20/h2-10,20H,1H3,(H,18,19,21)/b15-10+
InChIKeyVEPCMXXGSQOYEO-XNTDXEJSSA-N
MW326.38 g/mol
LogP3.29
Rot. Bonds3

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

(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135478932) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135478932
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2/S/C(=N\c3ccccc3O)NC2=O)c1
InChIInChI=1S/C17H14N2O3S/c1-22-12-6-4-5-11(9-12)10-15-16(21)19-17(23-15)18-13-7-2-3-8-14(13)20/h2-10,20H,1H3,(H,18,19,21)/b15-10+
InChIKeyVEPCMXXGSQOYEO-XNTDXEJSSA-N
XLogP3.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 136845043
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135497528
(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062843
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135539318
2-hydroxy-5-[[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948490
(5E)-2-(4-chloro-2-nitrophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063445
(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 171920717
(5Z)-2-(2,4-dimethoxyphenyl)imino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834922
(5Z)-2-(2-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171983322
2-(2,3-dimethylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135491592
(5E)-2-(2-chloro-4-nitrophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137020092
2-(2-fluorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486645

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135478932) is (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cccc(/C=C2/S/C(=N\c3ccccc3O)NC2=O)c1.
What is the InChIKey of (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VEPCMXXGSQOYEO-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-22-12-6-4-5-11(9-12)10-15-16(21)19-17(23-15)18-13-7-2-3-8-14(13)20/h2-10,20H,1H3,(H,18,19,21)/b15-10+.
What are the key properties of (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 326.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135478932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).