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

C21H19N7O4S2 — CID 142435616

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

7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435616) has the molecular formula C21H19N7O4S2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435616
• Molecular Formula: C21H19N7O4S2
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.09
• IUPAC Name: 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)sc1C
• InChI: InChI=1S/C21H19N7O4S2/c1-9-4-14(27-5-12(6-27)18(30)26-20-24-10(2)11(3)33-20)25-17-15(9)16(29)13(19(31)32)7-28(17)21-22-8-23-34-21/h4,7-8,12H,5-6H2,1-3H3,(H,31,32)(H,24,26,30)
• InChIKey: HIQHQHHJWHPIIU-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 143.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435616) is 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)sc1C.

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

The InChIKey is HIQHQHHJWHPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O4S2/c1-9-4-14(27-5-12(6-27)18(30)26-20-24-10(2)11(3)33-20)25-17-15(9)16(29)13(19(31)32)7-28(17)21-22-8-23-34-21/h4,7-8,12H,5-6H2,1-3H3,(H,31,32)(H,24,26,30).

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

7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 497.56 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).