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

C23H19N3O2S — CID 135780027

IUPAC(2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2/NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1
InChIInChI=1S/C23H19N3O2S/c1-28-20-14-12-17(13-15-20)16-24-26-22-25-21(27)23(29-22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H,25,26,27)/b24-16-
InChIKeyHRACBZCQMSEVMJ-JLPGSUDCSA-N
MW401.49 g/mol
LogP4.19
Rot. Bonds5

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

(2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one (PubChem CID 135780027) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
PubChem CID135780027
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name(2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2/NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1
InChIInChI=1S/C23H19N3O2S/c1-28-20-14-12-17(13-15-20)16-24-26-22-25-21(27)23(29-22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H,25,26,27)/b24-16-
InChIKeyHRACBZCQMSEVMJ-JLPGSUDCSA-N
XLogP4.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
CID 135403139
(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135472379
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
(5R)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 137195541
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135856668
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505964
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135856692
(2Z,5Z)-5-[(2-iodophenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136772662
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206972
5-[(4-methoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135439252
2-(benzylidenehydrazinylidene)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413169

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one (CID 135780027) is (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one is COc1ccc(/C=N\N=C2/NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1.
What is the InChIKey of (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is HRACBZCQMSEVMJ-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-28-20-14-12-17(13-15-20)16-24-26-22-25-21(27)23(29-22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H,25,26,27)/b24-16-.
What are the key properties of (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one has a molecular weight of 401.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135780027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).