6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C19H14FN7O4S2 — CID 142435526

About 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435526) has the molecular formula C19H14FN7O4S2 and a molecular weight of 487.50 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435526
• Molecular Formula: C19H14FN7O4S2
• Molecular Weight: 487.50 g/mol
• Exact Mass: 487.05
• IUPAC Name: 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1nnc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)s1
• InChI: InChI=1S/C19H14FN7O4S2/c1-8-24-25-18(33-8)23-16(29)9-5-26(6-9)15-12(20)4-10-13(28)11(17(30)31)7-27(14(10)22-15)19-21-2-3-32-19/h2-4,7,9H,5-6H2,1H3,(H,30,31)(H,23,25,29)
• InChIKey: DXBCFJXVRUZEEF-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 143.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.50
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435526) is 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1nnc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)s1.

What is the InChIKey of 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is DXBCFJXVRUZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O4S2/c1-8-24-25-18(33-8)23-16(29)9-5-26(6-9)15-12(20)4-10-13(28)11(17(30)31)7-27(14(10)22-15)19-21-2-3-32-19/h2-4,7,9H,5-6H2,1H3,(H,30,31)(H,23,25,29).

What are the key properties of 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 487.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).