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

C14H8FN5O4S — CID 142434792

IUPAC6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1
InChIInChI=1S/C14H8FN5O4S/c15-9-1-7-10(22)8(13(23)24)4-20(14-16-5-17-25-14)11(7)18-12(9)19-2-6(21)3-19/h1,4-5H,2-3H2,(H,23,24)
InChIKeyASVPZFHFLVFSTI-UHFFFAOYSA-N
MW361.31 g/mol
LogP0.46
Rot. Bonds3

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

6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434792) has the molecular formula C14H8FN5O4S and a molecular weight of 361.31 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434792
Molecular FormulaC14H8FN5O4S
Molecular Weight361.31 g/mol
Exact Mass361.03
IUPAC Name6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1
InChIInChI=1S/C14H8FN5O4S/c15-9-1-7-10(22)8(13(23)24)4-20(14-16-5-17-25-14)11(7)18-12(9)19-2-6(21)3-19/h1,4-5H,2-3H2,(H,23,24)
InChIKeyASVPZFHFLVFSTI-UHFFFAOYSA-N
XLogP0.46
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434792) is 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1.
What is the InChIKey of 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ASVPZFHFLVFSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5O4S/c15-9-1-7-10(22)8(13(23)24)4-20(14-16-5-17-25-14)11(7)18-12(9)19-2-6(21)3-19/h1,4-5H,2-3H2,(H,23,24).
What are the key properties of 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 361.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).