N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide

C19H24N4O2S2 — CID 5299734

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 5299734) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide
• PubChem CID: 5299734
• Molecular Formula: C19H24N4O2S2
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.13
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide
• SMILES: CCOc1ccc2nc(NC(=O)CSc3nc(CC(C)C)c(C)[nH]3)sc2c1
• InChI: InChI=1S/C19H24N4O2S2/c1-5-25-13-6-7-14-16(9-13)27-19(21-14)23-17(24)10-26-18-20-12(4)15(22-18)8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,20,22)(H,21,23,24)
• InChIKey: LXNLCYRCJZDBEW-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide (CID 5299734) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide is CCOc1ccc2nc(NC(=O)CSc3nc(CC(C)C)c(C)[nH]3)sc2c1.

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

The InChIKey is LXNLCYRCJZDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-5-25-13-6-7-14-16(9-13)27-19(21-14)23-17(24)10-26-18-20-12(4)15(22-18)8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,20,22)(H,21,23,24).

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 404.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 5299734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).