[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C24H22N2O3S — CID 56579512

About [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56579512) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 56579512
• Molecular Formula: C24H22N2O3S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.14
• IUPAC Name: [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCC(c2nccs2)C1
• InChI: InChI=1S/C24H22N2O3S/c27-24(26-12-3-6-19(15-26)23-25-11-13-30-23)22-10-9-21(29-22)16-28-20-8-7-17-4-1-2-5-18(17)14-20/h1-2,4-5,7-11,13-14,19H,3,6,12,15-16H2
• InChIKey: NIGVQHFBFIQHAV-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56579512) is [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCC(c2nccs2)C1.

What is the InChIKey of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is NIGVQHFBFIQHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c27-24(26-12-3-6-19(15-26)23-25-11-13-30-23)22-10-9-21(29-22)16-28-20-8-7-17-4-1-2-5-18(17)14-20/h1-2,4-5,7-11,13-14,19H,3,6,12,15-16H2.

What are the key properties of [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 418.52 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56579512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).