2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

C25H24N4O3S — CID 5215882

IUPAC2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1
InChIInChI=1S/C25H24N4O3S/c1-32-21-12-10-20(11-13-21)28-25-29(16-14-18-7-5-6-15-26-18)24(31)22(33-25)17-23(30)27-19-8-3-2-4-9-19/h2-13,15,22H,14,16-17H2,1H3,(H,27,30)/b28-25-
InChIKeyJGYGYWQCIAFHGJ-FVDSYPCUSA-N
MW460.56 g/mol
LogP4.29
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 5215882) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID5215882
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1
InChIInChI=1S/C25H24N4O3S/c1-32-21-12-10-20(11-13-21)28-25-29(16-14-18-7-5-6-15-26-18)24(31)22(33-25)17-23(30)27-19-8-3-2-4-9-19/h2-13,15,22H,14,16-17H2,1H3,(H,27,30)/b28-25-
InChIKeyJGYGYWQCIAFHGJ-FVDSYPCUSA-N
XLogP4.29
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 5215882) is 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is JGYGYWQCIAFHGJ-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-32-21-12-10-20(11-13-21)28-25-29(16-14-18-7-5-6-15-26-18)24(31)22(33-25)17-23(30)27-19-8-3-2-4-9-19/h2-13,15,22H,14,16-17H2,1H3,(H,27,30)/b28-25-.
What are the key properties of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 460.56 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 5215882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).