N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide

C₁₆H₁₆N₄O₅S — CID 108732800

About N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide

N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 108732800) has the molecular formula C₁₆H₁₆N₄O₅S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide
• PubChem CID: 108732800
• Molecular Formula: C₁₆H₁₆N₄O₅S
• Molecular Weight: 376.39 g/mol
• Exact Mass: 376.08
• IUPAC Name: N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide
• SMILES: COCCOCC(=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1
• InChI: InChI=1S/C16H16N4O5S/c1-24-6-7-25-9-12(21)17-16-19-18-13(26-16)8-20-14(22)10-4-2-3-5-11(10)15(20)23/h2-5H,6-9H2,1H3,(H,17,19,21)
• InChIKey: HHZUQTKMDNUXSU-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 110.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.39
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide?

The IUPAC name of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide (CID 108732800) is N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide.

What is the SMILES notation for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide?

The canonical SMILES for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1.

What is the InChIKey of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide?

The InChIKey is HHZUQTKMDNUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-24-6-7-25-9-12(21)17-16-19-18-13(26-16)8-20-14(22)10-4-2-3-5-11(10)15(20)23/h2-5H,6-9H2,1H3,(H,17,19,21).

What are the key properties of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide?

N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 376.39 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 108732800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108732800 — identifiers, structure, computed properties (public domain)

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