1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide

C23H23N5O3S — CID 90609416

About 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide

1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 90609416) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide
• PubChem CID: 90609416
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide
• SMILES: O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CCN(c2nc3ccccc3s2)CC1
• InChI: InChI=1S/C23H23N5O3S/c29-21-8-7-17(19-5-3-15-31-19)26-28(21)14-11-24-22(30)16-9-12-27(13-10-16)23-25-18-4-1-2-6-20(18)32-23/h1-8,15-16H,9-14H2,(H,24,30)
• InChIKey: LXZKQKVHBGNDCC-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide (CID 90609416) is 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CCN(c2nc3ccccc3s2)CC1.

What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide?

The InChIKey is LXZKQKVHBGNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c29-21-8-7-17(19-5-3-15-31-19)26-28(21)14-11-24-22(30)16-9-12-27(13-10-16)23-25-18-4-1-2-6-20(18)32-23/h1-8,15-16H,9-14H2,(H,24,30).

What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide?

1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90609416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).