3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H12N4OS — CID 626531

IUPAC3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccnc2)N1c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14-11-21-15(19(14)13-6-2-1-3-7-13)18-17-10-12-5-4-8-16-9-12/h1-10H,11H2
InChIKeyPFGGLRPJGKOFPA-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.55
Rot. Bonds3

About 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 626531) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID626531
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccnc2)N1c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14-11-21-15(19(14)13-6-2-1-3-7-13)18-17-10-12-5-4-8-16-9-12/h1-10H,11H2
InChIKeyPFGGLRPJGKOFPA-UHFFFAOYSA-N
XLogP2.55
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 626531) is 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cccnc2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is PFGGLRPJGKOFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14-11-21-15(19(14)13-6-2-1-3-7-13)18-17-10-12-5-4-8-16-9-12/h1-10H,11H2.
What are the key properties of 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 296.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(pyridin-3-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 626531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).