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

C20H17N7O4S2 — CID 142435345

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

5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435345) has the molecular formula C20H17N7O4S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435345
• Molecular Formula: C20H17N7O4S2
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.08
• IUPAC Name: 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cnc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)s1
• InChI: InChI=1S/C20H17N7O4S2/c1-9-3-13(26-5-11(6-26)17(29)25-19-21-4-10(2)32-19)24-16-14(9)15(28)12(18(30)31)7-27(16)20-22-8-23-33-20/h3-4,7-8,11H,5-6H2,1-2H3,(H,30,31)(H,21,25,29)
• InChIKey: XURJZMNWMZJXHG-UHFFFAOYSA-N
• XLogP: 2.08
• 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	483.54
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435345) is 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cnc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)s1.

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

The InChIKey is XURJZMNWMZJXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O4S2/c1-9-3-13(26-5-11(6-26)17(29)25-19-21-4-10(2)32-19)24-16-14(9)15(28)12(18(30)31)7-27(16)20-22-8-23-33-20/h3-4,7-8,11H,5-6H2,1-2H3,(H,30,31)(H,21,25,29).

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

5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 483.54 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).