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

C23H19FN4O2S2 — CID 30940041

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (PubChem CID 30940041) has the molecular formula C23H19FN4O2S2 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
• PubChem CID: 30940041
• Molecular Formula: C23H19FN4O2S2
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.09
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
• SMILES: CCOc1ccc2nc(NC(=O)CCc3csc4nc(-c5ccccc5F)cn34)sc2c1
• InChI: InChI=1S/C23H19FN4O2S2/c1-2-30-15-8-9-18-20(11-15)32-22(25-18)27-21(29)10-7-14-13-31-23-26-19(12-28(14)23)16-5-3-4-6-17(16)24/h3-6,8-9,11-13H,2,7,10H2,1H3,(H,25,27,29)
• InChIKey: TYOPRTOTPZUZOV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	5.78
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-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (CID 30940041) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[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-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is CCOc1ccc2nc(NC(=O)CCc3csc4nc(-c5ccccc5F)cn34)sc2c1.

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

The InChIKey is TYOPRTOTPZUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S2/c1-2-30-15-8-9-18-20(11-15)32-22(25-18)27-21(29)10-7-14-13-31-23-26-19(12-28(14)23)16-5-3-4-6-17(16)24/h3-6,8-9,11-13H,2,7,10H2,1H3,(H,25,27,29).

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide has a molecular weight of 466.56 g/mol, XLogP of 5.78, 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-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is sourced from PubChem (CID 30940041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).