[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone

C23H28N2O3S — CID 86946892

About [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone (PubChem CID 86946892) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone
• PubChem CID: 86946892
• Molecular Formula: C23H28N2O3S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.18
• IUPAC Name: [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone
• SMILES: CCc1csc(C2CCCN(C(=O)c3oc4ccccc4c3COC(C)C)C2)n1
• InChI: InChI=1S/C23H28N2O3S/c1-4-17-14-29-22(24-17)16-8-7-11-25(12-16)23(26)21-19(13-27-15(2)3)18-9-5-6-10-20(18)28-21/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3
• InChIKey: RUDPFPFPHOJYNY-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone?

The IUPAC name of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone (CID 86946892) is [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone.

What is the SMILES notation for [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone?

The canonical SMILES for [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone is CCc1csc(C2CCCN(C(=O)c3oc4ccccc4c3COC(C)C)C2)n1.

What is the InChIKey of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone?

The InChIKey is RUDPFPFPHOJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-4-17-14-29-22(24-17)16-8-7-11-25(12-16)23(26)21-19(13-27-15(2)3)18-9-5-6-10-20(18)28-21/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3.

What are the key properties of [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone?

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone has a molecular weight of 412.56 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(propan-2-yloxymethyl)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 86946892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).