3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide

C24H25N3O2S — CID 108811464

About 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide

3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 108811464) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 108811464
• Molecular Formula: C24H25N3O2S
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.17
• IUPAC Name: 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2nc3ccc(CN4CCC(C)CC4)cc3s2)oc2ccccc12
• InChI: InChI=1S/C24H25N3O2S/c1-15-9-11-27(12-10-15)14-17-7-8-19-21(13-17)30-24(25-19)26-23(28)22-16(2)18-5-3-4-6-20(18)29-22/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,28)
• InChIKey: YEJIBFSOQLQPAX-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide (CID 108811464) is 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3ccc(CN4CCC(C)CC4)cc3s2)oc2ccccc12.

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

The InChIKey is YEJIBFSOQLQPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-15-9-11-27(12-10-15)14-17-7-8-19-21(13-17)30-24(25-19)26-23(28)22-16(2)18-5-3-4-6-20(18)29-22/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,28).

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

3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108811464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).