1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone

C20H16N2O2S — CID 2563679

About 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 2563679) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 2563679
• Molecular Formula: C20H16N2O2S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.09
• IUPAC Name: 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2s1
• InChI: InChI=1S/C20H16N2O2S/c23-20(17-12-13-6-1-3-9-16(13)24-17)22-11-5-8-15(22)19-21-14-7-2-4-10-18(14)25-19/h1-4,6-7,9-10,12,15H,5,8,11H2/t15-/m1/s1
• InChIKey: YVVYWIQUJHVOEB-OAHLLOKOSA-N
• XLogP: 5.02
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone (CID 2563679) is 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2s1.

What is the InChIKey of 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is YVVYWIQUJHVOEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-20(17-12-13-6-1-3-9-16(13)24-17)22-11-5-8-15(22)19-21-14-7-2-4-10-18(14)25-19/h1-4,6-7,9-10,12,15H,5,8,11H2/t15-/m1/s1.

What are the key properties of 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone?

1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 348.43 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 2563679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).