5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide

C24H17N3O3S — CID 46461021

About 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide (PubChem CID 46461021) has the molecular formula C24H17N3O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
• PubChem CID: 46461021
• Molecular Formula: C24H17N3O3S
• Molecular Weight: 427.49 g/mol
• Exact Mass: 427.10
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C24H17N3O3S/c28-23(20-11-12-21(30-20)24-27-19-9-1-2-10-22(19)31-24)26-16-7-5-8-18(14-16)29-15-17-6-3-4-13-25-17/h1-14H,15H2,(H,26,28)
• InChIKey: MVQPPXZYUZZJAC-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.49
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide (CID 46461021) is 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide is O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide?

The InChIKey is MVQPPXZYUZZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3S/c28-23(20-11-12-21(30-20)24-27-19-9-1-2-10-22(19)31-24)26-16-7-5-8-18(14-16)29-15-17-6-3-4-13-25-17/h1-14H,15H2,(H,26,28).

What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide?

5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46461021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).