(2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H15N3O3S — CID 135511258

IUPAC(2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1Oc1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-22-15-9-12(10-18-20-17-19-16(21)11-24-17)7-8-14(15)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20,21)/b18-10+
InChIKeyIWJJBBMTTVYQBT-VCHYOVAHSA-N
MW341.39 g/mol
LogP3.04
Rot. Bonds5

About (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135511258) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135511258
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1Oc1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-22-15-9-12(10-18-20-17-19-16(21)11-24-17)7-8-14(15)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20,21)/b18-10+
InChIKeyIWJJBBMTTVYQBT-VCHYOVAHSA-N
XLogP3.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135511258) is (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2/NC(=O)CS2)ccc1Oc1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IWJJBBMTTVYQBT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-15-9-12(10-18-20-17-19-16(21)11-24-17)7-8-14(15)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20,21)/b18-10+.
What are the key properties of (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(3-methoxy-4-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).