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

C15H10FN5O4S — CID 146345518

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

6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146345518) has the molecular formula C15H10FN5O4S and a molecular weight of 375.34 g/mol. Its IUPAC name is 6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146345518
• Molecular Formula: C15H10FN5O4S
• Molecular Weight: 375.34 g/mol
• Exact Mass: 375.04
• IUPAC Name: 6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: O=CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1
• InChI: InChI=1S/C15H10FN5O4S/c16-10-1-8-11(23)9(14(24)25)4-21(15-17-6-18-26-15)12(8)19-13(10)20-2-7(3-20)5-22/h1,4-7H,2-3H2,(H,24,25)
• InChIKey: FJIUFBWAWAESCD-UHFFFAOYSA-N
• XLogP: 0.71
• TPSA: 118.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.34
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(3-formylazetidin-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-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 146345518) is 6-fluoro-7-(3-formylazetidin-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-formylazetidin-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-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1.

What is the InChIKey of 6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is FJIUFBWAWAESCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O4S/c16-10-1-8-11(23)9(14(24)25)4-21(15-17-6-18-26-15)12(8)19-13(10)20-2-7(3-20)5-22/h1,4-7H,2-3H2,(H,24,25).

What are the key properties of 6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 375.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146345518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).