N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C23H17N5O2S — CID 40910461

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 40910461) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
• PubChem CID: 40910461
• Molecular Formula: C23H17N5O2S
• Molecular Weight: 427.49 g/mol
• Exact Mass: 427.11
• IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)Cn4nnc5ccccc5c4=O)cc3)sc2c1
• InChI: InChI=1S/C23H17N5O2S/c1-14-6-11-19-20(12-14)31-22(25-19)15-7-9-16(10-8-15)24-21(29)13-28-23(30)17-4-2-3-5-18(17)26-27-28/h2-12H,13H2,1H3,(H,24,29)
• InChIKey: LKYHEVQKRAZCAJ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.49
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?

The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 40910461) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?

The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cn4nnc5ccccc5c4=O)cc3)sc2c1.

What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?

The InChIKey is LKYHEVQKRAZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-14-6-11-19-20(12-14)31-22(25-19)15-7-9-16(10-8-15)24-21(29)13-28-23(30)17-4-2-3-5-18(17)26-27-28/h2-12H,13H2,1H3,(H,24,29).

What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 427.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 40910461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).