(2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C9H8N4OS — CID 135402702

IUPAC(2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccncc2)N1
InChIInChI=1S/C9H8N4OS/c14-8-6-15-9(12-8)13-11-5-7-1-3-10-4-2-7/h1-5H,6H2,(H,12,13,14)/b11-5+
InChIKeyCDHXIFDLRKMPAV-VZUCSPMQSA-N
MW220.26 g/mol
LogP0.63
Rot. Bonds2

About (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135402702) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135402702
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name(2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccncc2)N1
InChIInChI=1S/C9H8N4OS/c14-8-6-15-9(12-8)13-11-5-7-1-3-10-4-2-7/h1-5H,6H2,(H,12,13,14)/b11-5+
InChIKeyCDHXIFDLRKMPAV-VZUCSPMQSA-N
XLogP0.63
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135402702) is (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccncc2)N1.
What is the InChIKey of (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CDHXIFDLRKMPAV-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H8N4OS/c14-8-6-15-9(12-8)13-11-5-7-1-3-10-4-2-7/h1-5H,6H2,(H,12,13,14)/b11-5+.
What are the key properties of (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 220.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135402702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).