5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C25H26N6O4S — CID 68721402

About 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 68721402) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 68721402
• Molecular Formula: C25H26N6O4S
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.17
• IUPAC Name: 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(N(CCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2n1
• InChI: InChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(29-23)20(6-8-27-18)30(16-11-26-12-16)9-7-17-13-31(25(33)35-17)15-2-4-21-19(10-15)28-22(32)14-36-21/h2-6,8,10,16-17,26H,7,9,11-14H2,1H3,(H,28,32)
• InChIKey: UVANZRVQSCLVDK-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 68721402) is 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(N(CCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2n1.

What is the InChIKey of 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is UVANZRVQSCLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-34-23-5-3-18-24(29-23)20(6-8-27-18)30(16-11-26-12-16)9-7-17-13-31(25(33)35-17)15-2-4-21-19(10-15)28-22(32)14-36-21/h2-6,8,10,16-17,26H,7,9,11-14H2,1H3,(H,28,32).

What are the key properties of 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 506.59 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)amino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68721402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).