2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide

C21H26F2N4O6S — CID 166755042

About 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide

2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide (PubChem CID 166755042) has the molecular formula C21H26F2N4O6S and a molecular weight of 500.52 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide
• PubChem CID: 166755042
• Molecular Formula: C21H26F2N4O6S
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.15
• IUPAC Name: 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide
• SMILES: NC(=O)COCCOCCNC(=O)COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
• InChI: InChI=1S/C21H26F2N4O6S/c22-15-2-1-14(16-13-34-21(26-16)27-4-7-31-8-5-27)20(19(15)23)33-12-18(29)25-3-6-30-9-10-32-11-17(24)28/h1-2,13H,3-12H2,(H2,24,28)(H,25,29)
• InChIKey: IUQHACNHKADJKN-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 125.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide?

The IUPAC name of 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide (CID 166755042) is 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide.

What is the SMILES notation for 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide?

The canonical SMILES for 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide is NC(=O)COCCOCCNC(=O)COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.

What is the InChIKey of 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide?

The InChIKey is IUQHACNHKADJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O6S/c22-15-2-1-14(16-13-34-21(26-16)27-4-7-31-8-5-27)20(19(15)23)33-12-18(29)25-3-6-30-9-10-32-11-17(24)28/h1-2,13H,3-12H2,(H2,24,28)(H,25,29).

What are the key properties of 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide?

2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide has a molecular weight of 500.52 g/mol, XLogP of 0.94, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 166755042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).