N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide

C23H28N4O2S — CID 44896251

About N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide

N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide (PubChem CID 44896251) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide
• PubChem CID: 44896251
• Molecular Formula: C23H28N4O2S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.19
• IUPAC Name: N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide
• SMILES: COc1ccc2nc(N3CCN(CCNC(=O)c4ccc(C)cc4C)CC3)sc2c1
• InChI: InChI=1S/C23H28N4O2S/c1-16-4-6-19(17(2)14-16)22(28)24-8-9-26-10-12-27(13-11-26)23-25-20-7-5-18(29-3)15-21(20)30-23/h4-7,14-15H,8-13H2,1-3H3,(H,24,28)
• InChIKey: BAUJJFXKMXGRFG-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide?

The IUPAC name of N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide (CID 44896251) is N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide.

What is the SMILES notation for N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide?

The canonical SMILES for N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide is COc1ccc2nc(N3CCN(CCNC(=O)c4ccc(C)cc4C)CC3)sc2c1.

What is the InChIKey of N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide?

The InChIKey is BAUJJFXKMXGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-16-4-6-19(17(2)14-16)22(28)24-8-9-26-10-12-27(13-11-26)23-25-20-7-5-18(29-3)15-21(20)30-23/h4-7,14-15H,8-13H2,1-3H3,(H,24,28).

What are the key properties of N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide?

N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 424.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 44896251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).