(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

C24H31N5O3S — CID 25291890

About (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 25291890) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 25291890
• Molecular Formula: C24H31N5O3S
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.21
• IUPAC Name: (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
• SMILES: CCC[C@]1(C2CCN(C(=O)c3sc(C)nc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O
• InChI: InChI=1S/C24H31N5O3S/c1-4-11-24(22(31)29(23(32)27-24)15-10-19-7-5-6-12-25-19)18-8-13-28(14-9-18)21(30)20-16(2)26-17(3)33-20/h5-7,12,18H,4,8-11,13-15H2,1-3H3,(H,27,32)/t24-/m1/s1
• InChIKey: UDQUMHOGYJNBQD-XMMPIXPASA-N
• XLogP: 3.34
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (CID 25291890) is (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is CCC[C@]1(C2CCN(C(=O)c3sc(C)nc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O.

What is the InChIKey of (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?

The InChIKey is UDQUMHOGYJNBQD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-4-11-24(22(31)29(23(32)27-24)15-10-19-7-5-6-12-25-19)18-8-13-28(14-9-18)21(30)20-16(2)26-17(3)33-20/h5-7,12,18H,4,8-11,13-15H2,1-3H3,(H,27,32)/t24-/m1/s1.

What are the key properties of (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?

(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 469.61 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 25291890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).