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

C24H22N4O3S — CID 3904456

IUPAC2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-20-12-10-18(11-13-20)27-24-28(16-19-9-5-6-14-25-19)23(30)21(32-24)15-22(29)26-17-7-3-2-4-8-17/h2-14,21H,15-16H2,1H3,(H,26,29)/b27-24-
InChIKeyALJKTYDBOJYIPS-PNHLSOANSA-N
MW446.53 g/mol
LogP4.25
Rot. Bonds7

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

2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 3904456) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID3904456
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-20-12-10-18(11-13-20)27-24-28(16-19-9-5-6-14-25-19)23(30)21(32-24)15-22(29)26-17-7-3-2-4-8-17/h2-14,21H,15-16H2,1H3,(H,26,29)/b27-24-
InChIKeyALJKTYDBOJYIPS-PNHLSOANSA-N
XLogP4.25
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.25
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-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 3904456) is 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is ALJKTYDBOJYIPS-PNHLSOANSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-20-12-10-18(11-13-20)27-24-28(16-19-9-5-6-14-25-19)23(30)21(32-24)15-22(29)26-17-7-3-2-4-8-17/h2-14,21H,15-16H2,1H3,(H,26,29)/b27-24-.
What are the key properties of 2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.25, 7 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-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 3904456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).