2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H17N3O3S — CID 168574488

IUPAC2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(OC3CCCCO3)cc2)N1
InChIInChI=1S/C15H17N3O3S/c19-13-10-22-15(17-13)18-16-9-11-4-6-12(7-5-11)21-14-3-1-2-8-20-14/h4-7,9,14H,1-3,8,10H2,(H,17,18,19)
InChIKeyDFGCVUBIHGQEGT-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.14
Rot. Bonds4

About 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574488) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574488
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(OC3CCCCO3)cc2)N1
InChIInChI=1S/C15H17N3O3S/c19-13-10-22-15(17-13)18-16-9-11-4-6-12(7-5-11)21-14-3-1-2-8-20-14/h4-7,9,14H,1-3,8,10H2,(H,17,18,19)
InChIKeyDFGCVUBIHGQEGT-UHFFFAOYSA-N
XLogP2.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.14
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 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574488) is 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(OC3CCCCO3)cc2)N1.
What is the InChIKey of 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DFGCVUBIHGQEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13-10-22-15(17-13)18-16-9-11-4-6-12(7-5-11)21-14-3-1-2-8-20-14/h4-7,9,14H,1-3,8,10H2,(H,17,18,19).
What are the key properties of 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 319.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxan-2-yloxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).