N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H16N4O2S2 — CID 1378932

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 1378932) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
• PubChem CID: 1378932
• Molecular Formula: C18H16N4O2S2
• Molecular Weight: 384.49 g/mol
• Exact Mass: 384.07
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccc2nc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)sc2c1
• InChI: InChI=1S/C18H16N4O2S2/c1-10-3-5-12-14(7-10)21-17(19-12)25-9-16(23)22-18-20-13-6-4-11(24-2)8-15(13)26-18/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22,23)
• InChIKey: LCSKVZFWWGKTFD-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.49
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 1378932) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

The InChIKey is LCSKVZFWWGKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-10-3-5-12-14(7-10)21-17(19-12)25-9-16(23)22-18-20-13-6-4-11(24-2)8-15(13)26-18/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22,23).

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 384.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1378932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).