7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C21H17N5O5S — CID 175473857

About 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 175473857) has the molecular formula C21H17N5O5S and a molecular weight of 451.46 g/mol. Its IUPAC name is 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 175473857
• Molecular Formula: C21H17N5O5S
• Molecular Weight: 451.46 g/mol
• Exact Mass: 451.10
• IUPAC Name: 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: O=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)NCc4ccco4)C3)ccc2c1=O
• InChI: InChI=1S/C21H17N5O5S/c27-17-14-3-4-16(25-9-12(10-25)19(28)23-8-13-2-1-6-31-13)24-18(14)26(11-15(17)20(29)30)21-22-5-7-32-21/h1-7,11-12H,8-10H2,(H,23,28)(H,29,30)
• InChIKey: CHJPLOFDOSUMEZ-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 130.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.46
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 175473857) is 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)NCc4ccco4)C3)ccc2c1=O.

What is the InChIKey of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is CHJPLOFDOSUMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O5S/c27-17-14-3-4-16(25-9-12(10-25)19(28)23-8-13-2-1-6-31-13)24-18(14)26(11-15(17)20(29)30)21-22-5-7-32-21/h1-7,11-12H,8-10H2,(H,23,28)(H,29,30).

What are the key properties of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 451.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175473857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).