N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H16FN3O3S — CID 40889720

About N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 40889720) has the molecular formula C23H16FN3O3S and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 40889720
• Molecular Formula: C23H16FN3O3S
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.09
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4ccc(F)cc4s3)oc12
• InChI: InChI=1S/C23H16FN3O3S/c1-29-18-7-4-5-14-11-19(30-21(14)18)22(28)27(13-16-6-2-3-10-25-16)23-26-17-9-8-15(24)12-20(17)31-23/h2-12H,13H2,1H3
• InChIKey: HRSLIPXVAQQQTC-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 40889720) is N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4ccc(F)cc4s3)oc12.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?

The InChIKey is HRSLIPXVAQQQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O3S/c1-29-18-7-4-5-14-11-19(30-21(14)18)22(28)27(13-16-6-2-3-10-25-16)23-26-17-9-8-15(24)12-20(17)31-23/h2-12H,13H2,1H3.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-7-methoxy-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40889720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).