N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine

C15H14N4O2S — CID 24788351

IUPACN-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESO=[N+]([O-])c1ccccc1/N=C1\SCCN1Cc1cccnc1
InChIInChI=1S/C15H14N4O2S/c20-19(21)14-6-2-1-5-13(14)17-15-18(8-9-22-15)11-12-4-3-7-16-10-12/h1-7,10H,8-9,11H2/b17-15-
InChIKeyOAWCNNUJOQVQLM-ICFOKQHNSA-N
MW314.37 g/mol
LogP3.23
Rot. Bonds4

About N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine

N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 24788351) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID24788351
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESO=[N+]([O-])c1ccccc1/N=C1\SCCN1Cc1cccnc1
InChIInChI=1S/C15H14N4O2S/c20-19(21)14-6-2-1-5-13(14)17-15-18(8-9-22-15)11-12-4-3-7-16-10-12/h1-7,10H,8-9,11H2/b17-15-
InChIKeyOAWCNNUJOQVQLM-ICFOKQHNSA-N
XLogP3.23
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine 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 N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine (CID 24788351) is N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine is O=[N+]([O-])c1ccccc1/N=C1\SCCN1Cc1cccnc1.
What is the InChIKey of N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is OAWCNNUJOQVQLM-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-19(21)14-6-2-1-5-13(14)17-15-18(8-9-22-15)11-12-4-3-7-16-10-12/h1-7,10H,8-9,11H2/b17-15-.
What are the key properties of N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine?
N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 314.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 24788351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).