6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C14H9FN6O4S — CID 142434866

IUPAC6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(=NO)C3)c(F)cc2c1=O
InChIInChI=1S/C14H9FN6O4S/c15-9-1-7-10(22)8(13(23)24)4-21(14-16-5-17-26-14)11(7)18-12(9)20-2-6(3-20)19-25/h1,4-5,25H,2-3H2,(H,23,24)
InChIKeyWCMWYKIWWUZPSL-UHFFFAOYSA-N
MW376.33 g/mol
LogP0.72
Rot. Bonds3

About 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434866) has the molecular formula C14H9FN6O4S and a molecular weight of 376.33 g/mol. Its IUPAC name is 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434866
Molecular FormulaC14H9FN6O4S
Molecular Weight376.33 g/mol
Exact Mass376.04
IUPAC Name6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(=NO)C3)c(F)cc2c1=O
InChIInChI=1S/C14H9FN6O4S/c15-9-1-7-10(22)8(13(23)24)4-21(14-16-5-17-26-14)11(7)18-12(9)20-2-6(3-20)19-25/h1,4-5,25H,2-3H2,(H,23,24)
InChIKeyWCMWYKIWWUZPSL-UHFFFAOYSA-N
XLogP0.72
TPSA133.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434866) is 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(N3CC(=NO)C3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WCMWYKIWWUZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6O4S/c15-9-1-7-10(22)8(13(23)24)4-21(14-16-5-17-26-14)11(7)18-12(9)20-2-6(3-20)19-25/h1,4-5,25H,2-3H2,(H,23,24).
What are the key properties of 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 376.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).