5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C24H29FN4O3S — CID 45172514

About 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45172514) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 45172514
• Molecular Formula: C24H29FN4O3S
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.19
• IUPAC Name: 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: Cc1nc(C(=O)N2CCC(C3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)cs1
• InChI: InChI=1S/C24H29FN4O3S/c1-15(2)13-29-22(31)24(27-23(29)32,12-17-5-4-6-19(25)11-17)18-7-9-28(10-8-18)21(30)20-14-33-16(3)26-20/h4-6,11,14-15,18H,7-10,12-13H2,1-3H3,(H,27,32)
• InChIKey: DZEFLKMEKTVRCV-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45172514) is 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1nc(C(=O)N2CCC(C3(Cc4cccc(F)c4)NC(=O)N(CC(C)C)C3=O)CC2)cs1.

What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is DZEFLKMEKTVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-15(2)13-29-22(31)24(27-23(29)32,12-17-5-4-6-19(25)11-17)18-7-9-28(10-8-18)21(30)20-14-33-16(3)26-20/h4-6,11,14-15,18H,7-10,12-13H2,1-3H3,(H,27,32).

What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 472.59 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45172514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).