N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide

C20H26N6O7S2 — CID 3470545

About N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 3470545) has the molecular formula C20H26N6O7S2 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 3470545
• Molecular Formula: C20H26N6O7S2
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.13
• IUPAC Name: N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: C=CCOc1nc(OCC=C)nc(OCC2CN(S(=O)(=O)c3sc(NC(C)=O)nc3C)CCO2)n1
• InChI: InChI=1S/C20H26N6O7S2/c1-5-8-31-17-23-18(32-9-6-2)25-19(24-17)33-12-15-11-26(7-10-30-15)35(28,29)16-13(3)21-20(34-16)22-14(4)27/h5-6,15H,1-2,7-12H2,3-4H3,(H,21,22,27)
• InChIKey: AXMCLYVVTQFVKW-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 154.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide (CID 3470545) is N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide is C=CCOc1nc(OCC=C)nc(OCC2CN(S(=O)(=O)c3sc(NC(C)=O)nc3C)CCO2)n1.

What is the InChIKey of N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is AXMCLYVVTQFVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O7S2/c1-5-8-31-17-23-18(32-9-6-2)25-19(24-17)33-12-15-11-26(7-10-30-15)35(28,29)16-13(3)21-20(34-16)22-14(4)27/h5-6,15H,1-2,7-12H2,3-4H3,(H,21,22,27).

What are the key properties of N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 526.60 g/mol, XLogP of 1.19, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3470545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).