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

C15H10FN5O4S — CID 142434737

IUPAC6-fluoro-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC(=O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C15H10FN5O4S/c1-6-9-11(23)8(14(24)25)4-21(15-17-5-18-26-15)12(9)19-13(10(6)16)20-2-7(22)3-20/h4-5H,2-3H2,1H3,(H,24,25)
InChIKeyCJVRSSJBDSRYOB-UHFFFAOYSA-N
MW375.34 g/mol
LogP0.77
Rot. Bonds3

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

6-fluoro-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434737) has the molecular formula C15H10FN5O4S and a molecular weight of 375.34 g/mol. Its IUPAC name is 6-fluoro-5-methyl-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-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434737
Molecular FormulaC15H10FN5O4S
Molecular Weight375.34 g/mol
Exact Mass375.04
IUPAC Name6-fluoro-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC(=O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C15H10FN5O4S/c1-6-9-11(23)8(14(24)25)4-21(15-17-5-18-26-15)12(9)19-13(10(6)16)20-2-7(22)3-20/h4-5H,2-3H2,1H3,(H,24,25)
InChIKeyCJVRSSJBDSRYOB-UHFFFAOYSA-N
XLogP0.77
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-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-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434737) is 6-fluoro-5-methyl-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-5-methyl-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-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CC(=O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 6-fluoro-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CJVRSSJBDSRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O4S/c1-6-9-11(23)8(14(24)25)4-21(15-17-5-18-26-15)12(9)19-13(10(6)16)20-2-7(22)3-20/h4-5H,2-3H2,1H3,(H,24,25).
What are the key properties of 6-fluoro-5-methyl-4-oxo-7-(3-oxoazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-5-methyl-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 375.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-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 142434737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).