N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

C₁₆H₁₉N₅OS — CID 137211216

About N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (PubChem CID 137211216) has the molecular formula C₁₆H₁₉N₅OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.

Molecular Properties

• Compound Name: N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
• PubChem CID: 137211216
• Molecular Formula: C₁₆H₁₉N₅OS
• Molecular Weight: 329.43 g/mol
• Exact Mass: 329.13
• IUPAC Name: N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
• SMILES: Cc1nsc2cc(/N=C3/CC4(CN5CCC4CC5)ON3)ncc12
• InChI: InChI=1S/C16H19N5OS/c1-10-12-8-17-14(6-13(12)23-20-10)18-15-7-16(22-19-15)9-21-4-2-11(16)3-5-21/h6,8,11H,2-5,7,9H2,1H3,(H,17,18,19)
• InChIKey: QBPPZEWFAANCSS-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 62.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.43
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

The IUPAC name of N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (CID 137211216) is N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.

What is the SMILES notation for N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

The canonical SMILES for N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is Cc1nsc2cc(/N=C3/CC4(CN5CCC4CC5)ON3)ncc12.

What is the InChIKey of N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

The InChIKey is QBPPZEWFAANCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10-12-8-17-14(6-13(12)23-20-10)18-15-7-16(22-19-15)9-21-4-2-11(16)3-5-21/h6,8,11H,2-5,7,9H2,1H3,(H,17,18,19).

What are the key properties of N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?

N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine has a molecular weight of 329.43 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is sourced from PubChem (CID 137211216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137211216 — identifiers, structure, computed properties (public domain)

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