1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C22H24FN5O5S — CID 146344870

About 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146344870) has the molecular formula C22H24FN5O5S and a molecular weight of 489.53 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146344870
• Molecular Formula: C22H24FN5O5S
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.15
• IUPAC Name: 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: O=C(O)c1cn(-c2ncc(F)s2)c2nc(N3CC(C(O)NCC4CCCCO4)C3)ccc2c1=O
• InChI: InChI=1S/C22H24FN5O5S/c23-16-8-25-22(34-16)28-11-15(21(31)32)18(29)14-4-5-17(26-19(14)28)27-9-12(10-27)20(30)24-7-13-3-1-2-6-33-13/h4-5,8,11-13,20,24,30H,1-3,6-7,9-10H2,(H,31,32)
• InChIKey: PXVFXJVNVQCDKU-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 129.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 146344870) is 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncc(F)s2)c2nc(N3CC(C(O)NCC4CCCCO4)C3)ccc2c1=O.

What is the InChIKey of 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is PXVFXJVNVQCDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O5S/c23-16-8-25-22(34-16)28-11-15(21(31)32)18(29)14-4-5-17(26-19(14)28)27-9-12(10-27)20(30)24-7-13-3-1-2-6-33-13/h4-5,8,11-13,20,24,30H,1-3,6-7,9-10H2,(H,31,32).

What are the key properties of 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 489.53 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[hydroxy-(oxan-2-ylmethylamino)methyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146344870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).