(7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone

C21H18N2O5S — CID 71796254

About (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone (PubChem CID 71796254) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
• PubChem CID: 71796254
• Molecular Formula: C21H18N2O5S
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.09
• IUPAC Name: (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
• SMILES: COc1cccc2sc(OC3CN(C(=O)c4cc5cccc(OC)c5o4)C3)nc12
• InChI: InChI=1S/C21H18N2O5S/c1-25-14-6-4-8-17-18(14)22-21(29-17)27-13-10-23(11-13)20(24)16-9-12-5-3-7-15(26-2)19(12)28-16/h3-9,13H,10-11H2,1-2H3
• InChIKey: AHMDQIQZQSAVTJ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 74.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone?

The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone (CID 71796254) is (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone.

What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone?

The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone is COc1cccc2sc(OC3CN(C(=O)c4cc5cccc(OC)c5o4)C3)nc12.

What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone?

The InChIKey is AHMDQIQZQSAVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-25-14-6-4-8-17-18(14)22-21(29-17)27-13-10-23(11-13)20(24)16-9-12-5-3-7-15(26-2)19(12)28-16/h3-9,13H,10-11H2,1-2H3.

What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone?

(7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone has a molecular weight of 410.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 71796254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).