2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C8H9N5O2S — CID 135498282

IUPAC2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(=NN=C1NC(=O)CS1)c1nonc1C
InChIInChI=1S/C8H9N5O2S/c1-4(7-5(2)12-15-13-7)10-11-8-9-6(14)3-16-8/h3H2,1-2H3,(H,9,11,14)
InChIKeyMQWIOGLYTGXSTK-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.32
Rot. Bonds2

About 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135498282) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135498282
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(=NN=C1NC(=O)CS1)c1nonc1C
InChIInChI=1S/C8H9N5O2S/c1-4(7-5(2)12-15-13-7)10-11-8-9-6(14)3-16-8/h3H2,1-2H3,(H,9,11,14)
InChIKeyMQWIOGLYTGXSTK-UHFFFAOYSA-N
XLogP0.32
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135498282) is 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC(=NN=C1NC(=O)CS1)c1nonc1C.
What is the InChIKey of 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MQWIOGLYTGXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-4(7-5(2)12-15-13-7)10-11-8-9-6(14)3-16-8/h3H2,1-2H3,(H,9,11,14).
What are the key properties of 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 239.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).