2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C24H23N5O6S — CID 135833736

About 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 135833736) has the molecular formula C24H23N5O6S and a molecular weight of 509.54 g/mol. Its IUPAC name is 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 135833736
• Molecular Formula: C24H23N5O6S
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.14
• IUPAC Name: 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
• SMILES: COc1ccc(C(/N=C2/NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)cc1
• InChI: InChI=1S/C24H23N5O6S/c1-12-3-7-14(8-4-12)25-17(30)11-16-20(31)29-24(36-16)26-19(13-5-9-15(35-2)10-6-13)18-21(32)27-23(34)28-22(18)33/h3-10,16,19H,11H2,1-2H3,(H,25,30)(H,26,29,31)(H3,27,28,32,33,34)
• InChIKey: IEKASAPZQRENDD-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 165.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 135833736) is 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is COc1ccc(C(/N=C2/NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)c2c(O)[nH]c(=O)[nH]c2=O)cc1.

What is the InChIKey of 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is IEKASAPZQRENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O6S/c1-12-3-7-14(8-4-12)25-17(30)11-16-20(31)29-24(36-16)26-19(13-5-9-15(35-2)10-6-13)18-21(32)27-23(34)28-22(18)33/h3-10,16,19H,11H2,1-2H3,(H,25,30)(H,26,29,31)(H3,27,28,32,33,34).

What are the key properties of 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 509.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135833736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).