N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide

C23H20N4O2S2 — CID 30939215

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (PubChem CID 30939215) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
• PubChem CID: 30939215
• Molecular Formula: C23H20N4O2S2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.10
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
• SMILES: CCOc1ccc2nc(NC(=O)CCc3csc4nc(-c5ccccc5)cn34)sc2c1
• InChI: InChI=1S/C23H20N4O2S2/c1-2-29-17-9-10-18-20(12-17)31-22(24-18)26-21(28)11-8-16-14-30-23-25-19(13-27(16)23)15-6-4-3-5-7-15/h3-7,9-10,12-14H,2,8,11H2,1H3,(H,24,26,28)
• InChIKey: XHVYZMITNZBXAQ-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	5.64
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)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (CID 30939215) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is CCOc1ccc2nc(NC(=O)CCc3csc4nc(-c5ccccc5)cn34)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?

The InChIKey is XHVYZMITNZBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-2-29-17-9-10-18-20(12-17)31-22(24-18)26-21(28)11-8-16-14-30-23-25-19(13-27(16)23)15-6-4-3-5-7-15/h3-7,9-10,12-14H,2,8,11H2,1H3,(H,24,26,28).

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide has a molecular weight of 448.57 g/mol, XLogP of 5.64, 7 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)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is sourced from PubChem (CID 30939215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).