5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C15H13N3OS — CID 135431149

IUPAC5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2ccccn2)SC1Cc1ccccc1
InChIInChI=1S/C15H13N3OS/c19-14-12(10-11-6-2-1-3-7-11)20-15(18-14)17-13-8-4-5-9-16-13/h1-9,12H,10H2,(H,16,17,18,19)
InChIKeyUYUQMWJRRJSXEU-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.54
Rot. Bonds3

About 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135431149) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135431149
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2ccccn2)SC1Cc1ccccc1
InChIInChI=1S/C15H13N3OS/c19-14-12(10-11-6-2-1-3-7-11)20-15(18-14)17-13-8-4-5-9-16-13/h1-9,12H,10H2,(H,16,17,18,19)
InChIKeyUYUQMWJRRJSXEU-UHFFFAOYSA-N
XLogP2.54
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135431149) is 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is O=C1NC(=Nc2ccccn2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is UYUQMWJRRJSXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14-12(10-11-6-2-1-3-7-11)20-15(18-14)17-13-8-4-5-9-16-13/h1-9,12H,10H2,(H,16,17,18,19).
What are the key properties of 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 283.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135431149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).