N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C12H9BrN4O2S2 — CID 3889839

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3889839) has the molecular formula C12H9BrN4O2S2 and a molecular weight of 385.27 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3889839
• Molecular Formula: C12H9BrN4O2S2
• Molecular Weight: 385.27 g/mol
• Exact Mass: 383.94
• IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1nnc(SCC(=O)Nc2nc3ccc(Br)cc3s2)o1
• InChI: InChI=1S/C12H9BrN4O2S2/c1-6-16-17-12(19-6)20-5-10(18)15-11-14-8-3-2-7(13)4-9(8)21-11/h2-4H,5H2,1H3,(H,14,15,18)
• InChIKey: KIKOAJPDYGOLQE-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.27
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3889839) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2nc3ccc(Br)cc3s2)o1.

What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is KIKOAJPDYGOLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2S2/c1-6-16-17-12(19-6)20-5-10(18)15-11-14-8-3-2-7(13)4-9(8)21-11/h2-4H,5H2,1H3,(H,14,15,18).

What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 385.27 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3889839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).