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

C15H11FN6O4S — CID 142434864

IUPAC6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC(=NO)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C15H11FN6O4S/c1-6-9-11(23)8(14(24)25)4-22(15-17-5-18-27-15)12(9)19-13(10(6)16)21-2-7(3-21)20-26/h4-5,26H,2-3H2,1H3,(H,24,25)
InChIKeyGAFRPRWOGSDGKX-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.03
Rot. Bonds3

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

6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434864) has the molecular formula C15H11FN6O4S and a molecular weight of 390.36 g/mol. Its IUPAC name is 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-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)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434864
Molecular FormulaC15H11FN6O4S
Molecular Weight390.36 g/mol
Exact Mass390.05
IUPAC Name6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC(=NO)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C15H11FN6O4S/c1-6-9-11(23)8(14(24)25)4-22(15-17-5-18-27-15)12(9)19-13(10(6)16)21-2-7(3-21)20-26/h4-5,26H,2-3H2,1H3,(H,24,25)
InChIKeyGAFRPRWOGSDGKX-UHFFFAOYSA-N
XLogP1.03
TPSA133.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.03
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)-5-methyl-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)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434864) is 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-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)-5-methyl-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)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CC(=NO)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is GAFRPRWOGSDGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O4S/c1-6-9-11(23)8(14(24)25)4-22(15-17-5-18-27-15)12(9)19-13(10(6)16)21-2-7(3-21)20-26/h4-5,26H,2-3H2,1H3,(H,24,25).
What are the key properties of 6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-(3-hydroxyiminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 390.36 g/mol, XLogP of 1.03, 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)-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).