(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H32N4O3S — CID 42373238

About (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42373238) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 42373238
• Molecular Formula: C25H32N4O3S
• Molecular Weight: 468.62 g/mol
• Exact Mass: 468.22
• IUPAC Name: (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: CC[C@]1(C2CCN(C(=O)CCc3ccccc3)CC2)NC(=O)N(CCc2scnc2C)C1=O
• InChI: InChI=1S/C25H32N4O3S/c1-3-25(23(31)29(24(32)27-25)16-13-21-18(2)26-17-33-21)20-11-14-28(15-12-20)22(30)10-9-19-7-5-4-6-8-19/h4-8,17,20H,3,9-16H2,1-2H3,(H,27,32)/t25-/m1/s1
• InChIKey: VRQKWWPBNFTLNO-RUZDIDTESA-N
• XLogP: 3.57
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.62
LogP ≤ 5	3.57
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 (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42373238) is (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is CC[C@]1(C2CCN(C(=O)CCc3ccccc3)CC2)NC(=O)N(CCc2scnc2C)C1=O.

What is the InChIKey of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is VRQKWWPBNFTLNO-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-3-25(23(31)29(24(32)27-25)16-13-21-18(2)26-17-33-21)20-11-14-28(15-12-20)22(30)10-9-19-7-5-4-6-8-19/h4-8,17,20H,3,9-16H2,1-2H3,(H,27,32)/t25-/m1/s1.

What are the key properties of (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?

(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 468.62 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42373238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).