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

C17H15N3O3S — CID 135510949

IUPAC(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)ccc1O
InChIInChI=1S/C17H15N3O3S/c1-23-14-9-11(7-8-13(14)21)10-18-20-17-19-16(22)15(24-17)12-5-3-2-4-6-12/h2-10,15,21H,1H3,(H,19,20,22)/b18-10+
InChIKeyJFDJCUVTFVZIGT-VCHYOVAHSA-N
MW341.39 g/mol
LogP2.69
Rot. Bonds4

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

(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135510949) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135510949
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)ccc1O
InChIInChI=1S/C17H15N3O3S/c1-23-14-9-11(7-8-13(14)21)10-18-20-17-19-16(22)15(24-17)12-5-3-2-4-6-12/h2-10,15,21H,1H3,(H,19,20,22)/b18-10+
InChIKeyJFDJCUVTFVZIGT-VCHYOVAHSA-N
XLogP2.69
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-5-benzyl-2-[(2E)-(4-hydroxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135645326
2-[(3,4-Dimethoxybenzylidene)hydrazono] thiazolidin-4-one
CID 135454338
(2Z)-5-(4-fluorobenzyl)-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-4-ol
CID 135460476
(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
4-Hydroxy-3-methoxybenzaldehyde (5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135460516
(2Z)-2-[(E)-(3-methoxy-4-phenoxy-phenyl)methylenehydrazono]thiazolidin-4-one
CID 135511258
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473269
(2Z)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135470754
(2E)-5-(4-chlorobenzyl)-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135527376
(2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135576501
(2Z)-2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135958680

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 135510949) is (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)ccc1O.
What is the InChIKey of (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is JFDJCUVTFVZIGT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-14-9-11(7-8-13(14)21)10-18-20-17-19-16(22)15(24-17)12-5-3-2-4-6-12/h2-10,15,21H,1H3,(H,19,20,22)/b18-10+.
What are the key properties of (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135510949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).