N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide

C20H29N5O2S — CID 158921528

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide (PubChem CID 158921528) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide
• PubChem CID: 158921528
• Molecular Formula: C20H29N5O2S
• Molecular Weight: 403.55 g/mol
• Exact Mass: 403.20
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide
• SMILES: Cc1ccc2nc(NC(=O)CN(C)C(=O)CN(C)C3CCN(C)CC3)sc2c1
• InChI: InChI=1S/C20H29N5O2S/c1-14-5-6-16-17(11-14)28-20(21-16)22-18(26)12-25(4)19(27)13-24(3)15-7-9-23(2)10-8-15/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,21,22,26)
• InChIKey: JHWXUPRUHPJHLC-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 68.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.55
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide (CID 158921528) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide is Cc1ccc2nc(NC(=O)CN(C)C(=O)CN(C)C3CCN(C)CC3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide?

The InChIKey is JHWXUPRUHPJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-14-5-6-16-17(11-14)28-20(21-16)22-18(26)12-25(4)19(27)13-24(3)15-7-9-23(2)10-8-15/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,21,22,26).

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide has a molecular weight of 403.55 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 158921528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).