N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

C23H23N5O3S — CID 121123779

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 121123779) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
• PubChem CID: 121123779
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
• SMILES: Cc1nc(-c2ccco2)sc1CNC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
• InChI: InChI=1S/C23H23N5O3S/c1-15-20(32-23(25-15)19-5-3-13-31-19)14-24-22(29)16-8-10-28(11-9-16)21-7-6-17(26-27-21)18-4-2-12-30-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,24,29)
• InChIKey: OGEQNPNGTRHHNL-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 97.29 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	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 121123779) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1nc(-c2ccco2)sc1CNC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1.

What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The InChIKey is OGEQNPNGTRHHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-20(32-23(25-15)19-5-3-13-31-19)14-24-22(29)16-8-10-28(11-9-16)21-7-6-17(26-27-21)18-4-2-12-30-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,24,29).

What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121123779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).