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

C13H15N3O3S — CID 135576501

IUPAC(2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C\c2ccc(O)c(OC)c2)NC1=O
InChIInChI=1S/C13H15N3O3S/c1-3-11-12(18)15-13(20-11)16-14-7-8-4-5-9(17)10(6-8)19-2/h4-7,11,17H,3H2,1-2H3,(H,15,16,18)/b14-7+
InChIKeyNZKMBJUVPVJBSP-VGOFMYFVSA-N
MW293.35 g/mol
LogP1.73
Rot. Bonds4

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

(2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135576501) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135576501
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C\c2ccc(O)c(OC)c2)NC1=O
InChIInChI=1S/C13H15N3O3S/c1-3-11-12(18)15-13(20-11)16-14-7-8-4-5-9(17)10(6-8)19-2/h4-7,11,17H,3H2,1-2H3,(H,15,16,18)/b14-7+
InChIKeyNZKMBJUVPVJBSP-VGOFMYFVSA-N
XLogP1.73
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135576501) is (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC1S/C(=N\N=C\c2ccc(O)c(OC)c2)NC1=O.
What is the InChIKey of (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NZKMBJUVPVJBSP-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-11-12(18)15-13(20-11)16-14-7-8-4-5-9(17)10(6-8)19-2/h4-7,11,17H,3H2,1-2H3,(H,15,16,18)/b14-7+.
What are the key properties of (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-ethyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).