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

C15H12FN5O5S — CID 142434545

IUPAC7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC(O)(O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C15H12FN5O5S/c1-6-8-10(22)7(13(23)24)2-21(14-17-5-18-27-14)11(8)19-12(9(6)16)20-3-15(25,26)4-20/h2,5,25-26H,3-4H2,1H3,(H,23,24)
InChIKeyDXPBGIUFNWRATD-UHFFFAOYSA-N
MW393.36 g/mol
LogP-0.12
Rot. Bonds3

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

7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434545) has the molecular formula C15H12FN5O5S and a molecular weight of 393.36 g/mol. Its IUPAC name is 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434545
Molecular FormulaC15H12FN5O5S
Molecular Weight393.36 g/mol
Exact Mass393.05
IUPAC Name7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1c(F)c(N2CC(O)(O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C15H12FN5O5S/c1-6-8-10(22)7(13(23)24)2-21(14-17-5-18-27-14)11(8)19-12(9(6)16)20-3-15(25,26)4-20/h2,5,25-26H,3-4H2,1H3,(H,23,24)
InChIKeyDXPBGIUFNWRATD-UHFFFAOYSA-N
XLogP-0.12
TPSA141.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434545) is 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CC(O)(O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is DXPBGIUFNWRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O5S/c1-6-8-10(22)7(13(23)24)2-21(14-17-5-18-27-14)11(8)19-12(9(6)16)20-3-15(25,26)4-20/h2,5,25-26H,3-4H2,1H3,(H,23,24).
What are the key properties of 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 393.36 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dihydroxyazetidin-1-yl)-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).