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

C23H23N5O2S2 — CID 90546912

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

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90546912) has the molecular formula C23H23N5O2S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 90546912
• Molecular Formula: C23H23N5O2S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.13
• IUPAC Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
• SMILES: Cc1nc(-c2cccs2)sc1CNC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
• InChI: InChI=1S/C23H23N5O2S2/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: CUGXBYSNSWQMJV-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 84.15 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	465.60
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90546912) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1nc(-c2cccs2)sc1CNC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1.

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

The InChIKey is CUGXBYSNSWQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S2/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 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90546912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).