N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide

C27H24N4O2S2 — CID 3169054

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 3169054) has the molecular formula C27H24N4O2S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide
• PubChem CID: 3169054
• Molecular Formula: C27H24N4O2S2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.13
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide
• SMILES: CCOc1ccc2nc(NC(=O)CSc3ncc(-c4ccccc4)n3-c3ccc(C)cc3)sc2c1
• InChI: InChI=1S/C27H24N4O2S2/c1-3-33-21-13-14-22-24(15-21)35-26(29-22)30-25(32)17-34-27-28-16-23(19-7-5-4-6-8-19)31(27)20-11-9-18(2)10-12-20/h4-16H,3,17H2,1-2H3,(H,29,30,32)
• InChIKey: RIDHJFQGCVPDNN-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide (CID 3169054) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide is CCOc1ccc2nc(NC(=O)CSc3ncc(-c4ccccc4)n3-c3ccc(C)cc3)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide?

The InChIKey is RIDHJFQGCVPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S2/c1-3-33-21-13-14-22-24(15-21)35-26(29-22)30-25(32)17-34-27-28-16-23(19-7-5-4-6-8-19)31(27)20-11-9-18(2)10-12-20/h4-16H,3,17H2,1-2H3,(H,29,30,32).

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 500.65 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3169054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).