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

C23H19N3O2S — CID 135478441

IUPAC(2Z)-2-[(E)-(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-LFVJCYFKSA-N
MW401.49 g/mol
LogP4.19
Rot. Bonds5

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

(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one (PubChem CID 135478441) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
PubChem CID135478441
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name(2Z)-2-[(E)-(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-LFVJCYFKSA-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

(E)-2-((E)-(2-hydroxybenzylidene)hydrazono)-5-(4-methoxybenzyl)thiazolidin-4-one
CID 135645365
(2E)-2-[(2E)-(4-hydroxybenzylidene)hydrazinylidene]-5-(4-methoxybenzyl)-2,5-dihydro-1,3-thiazol-4-ol
CID 135460503
(2Z)-2-[(2E)-(2,4-dimethoxybenzylidene)hydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135510945
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473269
(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135713456
5-(4-Fluorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-methoxyphenyl)ethylidene]hydrazone}
CID 135473250
2-[(3,4-Dimethoxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135533573
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473219
(2E)-2-[(2E)-(3,4-dimethoxybenzylidene)hydrazinylidene]-5-[3-(trifluoromethyl)benzyl]-1,3-thiazolidin-4-one
CID 135473229
(2E)-5-(4-fluorobenzyl)-2-[(2E)-(2-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135581245
(2E)-5-(4-fluorobenzyl)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135599446
(2E)-5-(4-fluorobenzyl)-2-{(2E)-[1-(4-methoxyphenyl)ethylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135645363

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one (CID 135478441) is (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(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 (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is HRACBZCQMSEVMJ-LFVJCYFKSA-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 (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(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 (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135478441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).