(2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

C18H20N2O3S — CID 131648810

About (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

(2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131648810) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

• Compound Name: (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
• PubChem CID: 131648810
• Molecular Formula: C18H20N2O3S
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.12
• IUPAC Name: (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
• SMILES: Cc1cc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)c(C)o1
• InChI: InChI=1S/C18H20N2O3S/c1-12-6-16(13(2)22-12)17(21)20-10-18(11-20)7-15(9-24-18)23-14-4-3-5-19-8-14/h3-6,8,15H,7,9-11H2,1-2H3
• InChIKey: ZEUKDVBAEDIOHP-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

The IUPAC name of (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131648810) is (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

The canonical SMILES for (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is Cc1cc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)c(C)o1.

What is the InChIKey of (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

The InChIKey is ZEUKDVBAEDIOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-6-16(13(2)22-12)17(21)20-10-18(11-20)7-15(9-24-18)23-14-4-3-5-19-8-14/h3-6,8,15H,7,9-11H2,1-2H3.

What are the key properties of (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

(2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 344.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131648810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).