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

C23H26F2N4O3S — CID 42340375

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

(5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 42340375) has the molecular formula C23H26F2N4O3S and a molecular weight of 476.55 g/mol. Its IUPAC name is (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
• PubChem CID: 42340375
• Molecular Formula: C23H26F2N4O3S
• Molecular Weight: 476.55 g/mol
• Exact Mass: 476.17
• IUPAC Name: (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
• SMILES: CC[C@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(CCc2scnc2C)C1=O
• InChI: InChI=1S/C23H26F2N4O3S/c1-3-23(21(31)29(22(32)27-23)12-9-18-14(2)26-13-33-18)15-7-10-28(11-8-15)20(30)16-5-4-6-17(24)19(16)25/h4-6,13,15H,3,7-12H2,1-2H3,(H,27,32)/t23-/m1/s1
• InChIKey: GHLKIXJGINAEGE-HSZRJFAPSA-N
• XLogP: 3.53
• 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	476.55
LogP ≤ 5	3.53
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-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 42340375) is (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CC[C@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(CCc2scnc2C)C1=O.

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

The InChIKey is GHLKIXJGINAEGE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26F2N4O3S/c1-3-23(21(31)29(22(32)27-23)12-9-18-14(2)26-13-33-18)15-7-10-28(11-8-15)20(30)16-5-4-6-17(24)19(16)25/h4-6,13,15H,3,7-12H2,1-2H3,(H,27,32)/t23-/m1/s1.

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

(5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 476.55 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42340375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).