1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C21H20N4OS2 — CID 90609369

About 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90609369) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 90609369
• Molecular Formula: C21H20N4OS2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.11
• IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc2nc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)sc2c1
• InChI: InChI=1S/C21H20N4OS2/c1-13-6-7-16-18(12-13)27-20(22-16)24-19(26)14-8-10-25(11-9-14)21-23-15-4-2-3-5-17(15)28-21/h2-7,12,14H,8-11H2,1H3,(H,22,24,26)
• InChIKey: IWGYDKBLEAJIRO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90609369) is 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(NC(=O)C3CCN(c4nc5ccccc5s4)CC3)sc2c1.

What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is IWGYDKBLEAJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS2/c1-13-6-7-16-18(12-13)27-20(22-16)24-19(26)14-8-10-25(11-9-14)21-23-15-4-2-3-5-17(15)28-21/h2-7,12,14H,8-11H2,1H3,(H,22,24,26).

What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90609369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).