(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

C18H17N3O2S — CID 135648218

IUPAC(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-23-15-10-8-13(9-11-15)12-19-21-18-20-17(22)16(24-18)14-6-4-3-5-7-14/h3-12,16H,2H2,1H3,(H,20,21,22)/b19-12+
InChIKeyVKMMORJHOTWKBY-XDHOZWIPSA-N
MW339.42 g/mol
LogP3.38
Rot. Bonds5

About (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135648218) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135648218
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-23-15-10-8-13(9-11-15)12-19-21-18-20-17(22)16(24-18)14-6-4-3-5-7-14/h3-12,16H,2H2,1H3,(H,20,21,22)/b19-12+
InChIKeyVKMMORJHOTWKBY-XDHOZWIPSA-N
XLogP3.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
2-[(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135444282
(2Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135650471
2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135513567
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135942078
2-[(2Z,5S)-2-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135851813
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696
(5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135906037
(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135523730
(2Z,5R)-2-[(E)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135764028
(2E)-5-methyl-2-[(E)-(4-octoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628343
(2Z,5S)-2-[(Z)-(4-heptoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136695976

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 135648218) is (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is CCOc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)cc1.
What is the InChIKey of (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is VKMMORJHOTWKBY-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-23-15-10-8-13(9-11-15)12-19-21-18-20-17(22)16(24-18)14-6-4-3-5-7-14/h3-12,16H,2H2,1H3,(H,20,21,22)/b19-12+.
What are the key properties of (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135648218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).