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

C18H15N3O3S — CID 135472610

IUPAC(2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3O)NC2=O)cc1
InChIInChI=1S/C18H15N3O3S/c1-24-14-8-6-12(7-9-14)10-16-17(23)20-18(25-16)21-19-11-13-4-2-3-5-15(13)22/h2-11,22H,1H3,(H,20,21,23)/b16-10+,19-11+
InChIKeyVVBRNCOBMAIGNK-GAZRNQOFSA-N
MW353.40 g/mol
LogP2.99
Rot. Bonds4

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

(2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135472610) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135472610
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name(2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3O)NC2=O)cc1
InChIInChI=1S/C18H15N3O3S/c1-24-14-8-6-12(7-9-14)10-16-17(23)20-18(25-16)21-19-11-13-4-2-3-5-15(13)22/h2-11,22H,1H3,(H,20,21,23)/b16-10+,19-11+
InChIKeyVVBRNCOBMAIGNK-GAZRNQOFSA-N
XLogP2.99
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135419868
(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
methyl (2Z)-2-[(2E)-2-[(E)-(4-benzyloxyphenyl)methylenehydrazono]-4-oxo-thiazolidin-5-ylidene]acetate
CID 136259847
methyl (2Z)-2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 137632989
methyl (2Z)-2-[(2E)-2-[(E)-[4-[(4-methoxyphenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 137646496
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172451219
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
CID 177376646
(E)-N-[(E)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135976609
2-(4-Methoxy-benzylidenehydrazono)-thiazolidin-4-one
CID 137179754
(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135898792
4-(Benzyloxy)benzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135421221

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135472610) is (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3O)NC2=O)cc1.
What is the InChIKey of (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VVBRNCOBMAIGNK-GAZRNQOFSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-14-8-6-12(7-9-14)10-16-17(23)20-18(25-16)21-19-11-13-4-2-3-5-15(13)22/h2-11,22H,1H3,(H,20,21,23)/b16-10+,19-11+.
What are the key properties of (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 353.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135472610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).