1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C24H28N6O5S — CID 146314275

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146314275) has the molecular formula C24H28N6O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146314275
• Molecular Formula: C24H28N6O5S
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.18
• IUPAC Name: 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCOCC(C)NC(=O)C1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nc(C5CC5)ns4)c3n2)C1
• InChI: InChI=1S/C24H28N6O5S/c1-4-35-11-13(3)25-22(32)15-8-29(9-15)17-7-12(2)18-19(31)16(23(33)34)10-30(21(18)26-17)24-27-20(28-36-24)14-5-6-14/h7,10,13-15H,4-6,8-9,11H2,1-3H3,(H,25,32)(H,33,34)
• InChIKey: GUOIZFPANPGOQE-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 139.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 146314275) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCOCC(C)NC(=O)C1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nc(C5CC5)ns4)c3n2)C1.

What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is GUOIZFPANPGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5S/c1-4-35-11-13(3)25-22(32)15-8-29(9-15)17-7-12(2)18-19(31)16(23(33)34)10-30(21(18)26-17)24-27-20(28-36-24)14-5-6-14/h7,10,13-15H,4-6,8-9,11H2,1-3H3,(H,25,32)(H,33,34).

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 512.59 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-(1-ethoxypropan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146314275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).