6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C16H16N2O4S — CID 118950974

About 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118950974) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 118950974
• Molecular Formula: C16H16N2O4S
• Molecular Weight: 332.38 g/mol
• Exact Mass: 332.08
• IUPAC Name: 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)NCCS3)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C16H16N2O4S/c1-2-9-13(18-15(20)12(14(9)19)16(21)22)8-3-4-11-10(7-8)17-5-6-23-11/h3-4,7,17H,2,5-6H2,1H3,(H,21,22)(H2,18,19,20)
• InChIKey: UINRBDRLAVBHGK-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 102.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.38
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 118950974) is 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)NCCS3)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is UINRBDRLAVBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-2-9-13(18-15(20)12(14(9)19)16(21)22)8-3-4-11-10(7-8)17-5-6-23-11/h3-4,7,17H,2,5-6H2,1H3,(H,21,22)(H2,18,19,20).

What are the key properties of 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?

6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118950974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).