5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C16H19FN6S — CID 72709498

About 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 72709498) has the molecular formula C16H19FN6S and a molecular weight of 346.44 g/mol. Its IUPAC name is 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
• PubChem CID: 72709498
• Molecular Formula: C16H19FN6S
• Molecular Weight: 346.44 g/mol
• Exact Mass: 346.14
• IUPAC Name: 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
• SMILES: CN1C(Nc2nc3ccc(F)nc3s2)=NCC12CN1CCC2CC1
• InChI: InChI=1S/C16H19FN6S/c1-22-14(18-8-16(22)9-23-6-4-10(16)5-7-23)21-15-19-11-2-3-12(17)20-13(11)24-15/h2-3,10H,4-9H2,1H3,(H,18,19,21)
• InChIKey: KEPYNGMAWWCGFM-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 56.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.44
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The IUPAC name of 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 72709498) is 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

What is the SMILES notation for 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The canonical SMILES for 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is CN1C(Nc2nc3ccc(F)nc3s2)=NCC12CN1CCC2CC1.

What is the InChIKey of 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

The InChIKey is KEPYNGMAWWCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6S/c1-22-14(18-8-16(22)9-23-6-4-10(16)5-7-23)21-15-19-11-2-3-12(17)20-13(11)24-15/h2-3,10H,4-9H2,1H3,(H,18,19,21).

What are the key properties of 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?

5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 72709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).