N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C₁₁H₁₇N₅OS — CID 65207621

About N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 65207621) has the molecular formula C₁₁H₁₇N₅OS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
• PubChem CID: 65207621
• Molecular Formula: C₁₁H₁₇N₅OS
• Molecular Weight: 267.36 g/mol
• Exact Mass: 267.12
• IUPAC Name: N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
• SMILES: CCNCc1noc(-c2snnc2C(C)(C)C)n1
• InChI: InChI=1S/C11H17N5OS/c1-5-12-6-7-13-10(17-15-7)8-9(11(2,3)4)14-16-18-8/h12H,5-6H2,1-4H3
• InChIKey: ZANHIHOBYYHKBZ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.36
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The IUPAC name of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 65207621) is N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

What is the SMILES notation for N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The canonical SMILES for N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2snnc2C(C)(C)C)n1.

What is the InChIKey of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

The InChIKey is ZANHIHOBYYHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-5-12-6-7-13-10(17-15-7)8-9(11(2,3)4)14-16-18-8/h12H,5-6H2,1-4H3.

What are the key properties of N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?

N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 65207621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65207621 — identifiers, structure, computed properties (public domain)

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