[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate

C54H92N12O17S3 — CID 161269084

About [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate

[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate (PubChem CID 161269084) has the molecular formula C54H92N12O17S3 and a molecular weight of 1277.60 g/mol. Its IUPAC name is [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate.

Molecular Properties

• Compound Name: [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate
• PubChem CID: 161269084
• Molecular Formula: C54H92N12O17S3
• Molecular Weight: 1277.60 g/mol
• Exact Mass: 1276.59
• IUPAC Name: [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate
• SMILES: CC(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCCC(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1
• InChI: InChI=1S/C20H34N4O6S.C18H30N4O6S.C16H28N4O5S/c1-6-7-16(25)29-14(2)19(26)30-15(12-21-20(3,4)5)13-28-18-17(22-31-23-18)24-8-10-27-11-9-24;1-12(27-13(2)23)17(24)28-14(10-19-18(3,4)5)11-26-16-15(20-29-21-16)22-6-8-25-9-7-22;1-11(21)15(22)25-12(9-17-16(2,3)4)10-24-14-13(18-26-19-14)20-5-7-23-8-6-20/h14-15,21H,6-13H2,1-5H3;12,14,19H,6-11H2,1-5H3;11-12,17,21H,5-10H2,1-4H3
• InChIKey: VDOMRGHIGUXKMQ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 330.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.60
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate?

The IUPAC name of [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate (CID 161269084) is [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate.

What is the SMILES notation for [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate?

The canonical SMILES for [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate is CC(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCCC(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.

What is the InChIKey of [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate?

The InChIKey is VDOMRGHIGUXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O6S.C18H30N4O6S.C16H28N4O5S/c1-6-7-16(25)29-14(2)19(26)30-15(12-21-20(3,4)5)13-28-18-17(22-31-23-18)24-8-10-27-11-9-24;1-12(27-13(2)23)17(24)28-14(10-19-18(3,4)5)11-26-16-15(20-29-21-16)22-6-8-25-9-7-22;1-11(21)15(22)25-12(9-17-16(2,3)4)10-24-14-13(18-26-19-14)20-5-7-23-8-6-20/h14-15,21H,6-13H2,1-5H3;12,14,19H,6-11H2,1-5H3;11-12,17,21H,5-10H2,1-4H3.

What are the key properties of [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate?

[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate has a molecular weight of 1277.60 g/mol, XLogP of 3.22, 28 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate is sourced from PubChem (CID 161269084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).