1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

C24H29N3O2S — CID 41362779

About 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 41362779) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
• PubChem CID: 41362779
• Molecular Formula: C24H29N3O2S
• Molecular Weight: 423.58 g/mol
• Exact Mass: 423.20
• IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
• SMILES: CCOc1ccc2nc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)sc2c1
• InChI: InChI=1S/C24H29N3O2S/c1-4-29-20-9-10-21-22(16-20)30-24(25-21)27-13-11-26(12-14-27)23(28)15-18-5-7-19(8-6-18)17(2)3/h5-10,16-17H,4,11-15H2,1-3H3
• InChIKey: PYZMKCIKMDAZMI-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.58
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The IUPAC name of 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (CID 41362779) is 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

What is the SMILES notation for 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The canonical SMILES for 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is CCOc1ccc2nc(N3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)sc2c1.

What is the InChIKey of 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The InChIKey is PYZMKCIKMDAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-4-29-20-9-10-21-22(16-20)30-24(25-21)27-13-11-26(12-14-27)23(28)15-18-5-7-19(8-6-18)17(2)3/h5-10,16-17H,4,11-15H2,1-3H3.

What are the key properties of 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 423.58 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 41362779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).