N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

C22H16N2O3S — CID 8718552

About N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 8718552) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
• PubChem CID: 8718552
• Molecular Formula: C22H16N2O3S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.09
• IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc2nc(N(Cc3ccco3)C(=O)c3cc4ccccc4o3)sc2c1
• InChI: InChI=1S/C22H16N2O3S/c1-14-8-9-17-20(11-14)28-22(23-17)24(13-16-6-4-10-26-16)21(25)19-12-15-5-2-3-7-18(15)27-19/h2-12H,13H2,1H3
• InChIKey: BKZXVCGNUMHZAD-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 59.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (CID 8718552) is N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1ccc2nc(N(Cc3ccco3)C(=O)c3cc4ccccc4o3)sc2c1.

What is the InChIKey of N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?

The InChIKey is BKZXVCGNUMHZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-14-8-9-17-20(11-14)28-22(23-17)24(13-16-6-4-10-26-16)21(25)19-12-15-5-2-3-7-18(15)27-19/h2-12H,13H2,1H3.

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

N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).