N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C₁₇H₁₄N₄O₂S — CID 18103981

About N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18103981) has the molecular formula C₁₇H₁₄N₄O₂S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
• PubChem CID: 18103981
• Molecular Formula: C₁₇H₁₄N₄O₂S
• Molecular Weight: 338.39 g/mol
• Exact Mass: 338.08
• IUPAC Name: N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
• SMILES: O=C(CN1C(=O)CSc2ccccc21)Nn1cnc2ccccc21
• InChI: InChI=1S/C17H14N4O2S/c22-16(19-21-11-18-12-5-1-2-6-13(12)21)9-20-14-7-3-4-8-15(14)24-10-17(20)23/h1-8,11H,9-10H2,(H,19,22)
• InChIKey: PEMUTNFDTVTHBZ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.39
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?

The IUPAC name of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18103981) is N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

What is the SMILES notation for N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?

The canonical SMILES for N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nn1cnc2ccccc21.

What is the InChIKey of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?

The InChIKey is PEMUTNFDTVTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-16(19-21-11-18-12-5-1-2-6-13(12)21)9-20-14-7-3-4-8-15(14)24-10-17(20)23/h1-8,11H,9-10H2,(H,19,22).

What are the key properties of N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?

N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18103981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18103981 — identifiers, structure, computed properties (public domain)

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