7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C16H15N5O3S — CID 142434637

About 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434637) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434637
• Molecular Formula: C16H15N5O3S
• Molecular Weight: 357.40 g/mol
• Exact Mass: 357.09
• IUPAC Name: 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
• InChI: InChI=1S/C16H15N5O3S/c1-8-4-11(20-5-9(17)6-20)19-14-12(8)13(22)10(15(23)24)7-21(14)16-18-2-3-25-16/h2-4,7,9H,5-6,17H2,1H3,(H,23,24)
• InChIKey: UEMMZGAQTKCIKD-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 114.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.40
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434637) is 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.

What is the InChIKey of 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is UEMMZGAQTKCIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-8-4-11(20-5-9(17)6-20)19-14-12(8)13(22)10(15(23)24)7-21(14)16-18-2-3-25-16/h2-4,7,9H,5-6,17H2,1H3,(H,23,24).

What are the key properties of 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 357.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).