5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C16H15N3OS — CID 135414156

IUPAC5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2SC(=Nc3ccccn3)NC2=O)c1
InChIInChI=1S/C16H15N3OS/c1-11-5-4-6-12(9-11)10-13-15(20)19-16(21-13)18-14-7-2-3-8-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20)
InChIKeyWWUGFEQZEJQMEN-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.85
Rot. Bonds3

About 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135414156) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135414156
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2SC(=Nc3ccccn3)NC2=O)c1
InChIInChI=1S/C16H15N3OS/c1-11-5-4-6-12(9-11)10-13-15(20)19-16(21-13)18-14-7-2-3-8-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20)
InChIKeyWWUGFEQZEJQMEN-UHFFFAOYSA-N
XLogP2.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.85
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-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135414156) is 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is Cc1cccc(CC2SC(=Nc3ccccn3)NC2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WWUGFEQZEJQMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-5-4-6-12(9-11)10-13-15(20)19-16(21-13)18-14-7-2-3-8-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20).
What are the key properties of 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).