2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C25H30F3N3OS — CID 67347228

About 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67347228) has the molecular formula C25H30F3N3OS and a molecular weight of 477.60 g/mol. Its IUPAC name is 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 67347228
• Molecular Formula: C25H30F3N3OS
• Molecular Weight: 477.60 g/mol
• Exact Mass: 477.21
• IUPAC Name: 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(CC1CS/C(=N\C23CC4CC(CC(C4)C2)C3)N1C1CC1)Nc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H30F3N3OS/c26-25(27,28)18-1-3-19(4-2-18)29-22(32)10-21-14-33-23(31(21)20-5-6-20)30-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-4,15-17,20-21H,5-14H2,(H,29,32)/b30-23-
• InChIKey: ASRGOGKTDDXTNK-WMMMYUQOSA-N
• XLogP: 5.94
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.60
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 67347228) is 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CC1CS/C(=N\C23CC4CC(CC(C4)C2)C3)N1C1CC1)Nc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

The InChIKey is ASRGOGKTDDXTNK-WMMMYUQOSA-N. The full InChI is InChI=1S/C25H30F3N3OS/c26-25(27,28)18-1-3-19(4-2-18)29-22(32)10-21-14-33-23(31(21)20-5-6-20)30-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-4,15-17,20-21H,5-14H2,(H,29,32)/b30-23-.

What are the key properties of 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?

2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 477.60 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazolidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67347228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).