1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

C17H25N3O2S — CID 141073166

About 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol (PubChem CID 141073166) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
• PubChem CID: 141073166
• Molecular Formula: C17H25N3O2S
• Molecular Weight: 335.47 g/mol
• Exact Mass: 335.17
• IUPAC Name: 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
• SMILES: Cc1nc2cc(OCC(O)CN3C(C)CNCC3C)ccc2s1
• InChI: InChI=1S/C17H25N3O2S/c1-11-7-18-8-12(2)20(11)9-14(21)10-22-15-4-5-17-16(6-15)19-13(3)23-17/h4-6,11-12,14,18,21H,7-10H2,1-3H3
• InChIKey: ITUPJIGOVQFKIP-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 57.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.47
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol (CID 141073166) is 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol.

What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol is Cc1nc2cc(OCC(O)CN3C(C)CNCC3C)ccc2s1.

What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

The InChIKey is ITUPJIGOVQFKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-7-18-8-12(2)20(11)9-14(21)10-22-15-4-5-17-16(6-15)19-13(3)23-17/h4-6,11-12,14,18,21H,7-10H2,1-3H3.

What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol?

1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol has a molecular weight of 335.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol is sourced from PubChem (CID 141073166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).