6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide

C₁₉H₂₂F₃N₃O₂S — CID 78843663

About 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide

6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide (PubChem CID 78843663) has the molecular formula C₁₉H₂₂F₃N₃O₂S and a molecular weight of 413.47 g/mol. Its IUPAC name is 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

• Compound Name: 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
• PubChem CID: 78843663
• Molecular Formula: C₁₉H₂₂F₃N₃O₂S
• Molecular Weight: 413.47 g/mol
• Exact Mass: 413.14
• IUPAC Name: 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
• SMILES: CC(=O)NCCCCCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
• InChI: InChI=1S/C19H22F3N3O2S/c1-13(26)23-10-4-2-3-5-17(27)25-18-24-12-16(28-18)11-14-6-8-15(9-7-14)19(20,21)22/h6-9,12H,2-5,10-11H2,1H3,(H,23,26)(H,24,25,27)
• InChIKey: WJXRQWWDKVQWAE-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.47
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide?

The IUPAC name of 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide (CID 78843663) is 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide.

What is the SMILES notation for 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide?

The canonical SMILES for 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide is CC(=O)NCCCCCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1.

What is the InChIKey of 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide?

The InChIKey is WJXRQWWDKVQWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2S/c1-13(26)23-10-4-2-3-5-17(27)25-18-24-12-16(28-18)11-14-6-8-15(9-7-14)19(20,21)22/h6-9,12H,2-5,10-11H2,1H3,(H,23,26)(H,24,25,27).

What are the key properties of 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide?

6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide has a molecular weight of 413.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 78843663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 78843663 — identifiers, structure, computed properties (public domain)

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