N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H20N6O3S — CID 55789437

About N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55789437) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 55789437
• Molecular Formula: C20H20N6O3S
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.13
• IUPAC Name: N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
• SMILES: Cn1cc(-c2nc(C(=O)NN3C(=O)NC(C)(CCc4ccccc4)C3=O)cs2)cn1
• InChI: InChI=1S/C20H20N6O3S/c1-20(9-8-13-6-4-3-5-7-13)18(28)26(19(29)23-20)24-16(27)15-12-30-17(22-15)14-10-21-25(2)11-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,29)(H,24,27)
• InChIKey: YRIMNPDYTGVVDL-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55789437) is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NN3C(=O)NC(C)(CCc4ccccc4)C3=O)cs2)cn1.

What is the InChIKey of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is YRIMNPDYTGVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-20(9-8-13-6-4-3-5-7-13)18(28)26(19(29)23-20)24-16(27)15-12-30-17(22-15)14-10-21-25(2)11-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,29)(H,24,27).

What are the key properties of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55789437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).