ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

C23H25N5O4S — CID 30361202

About ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 30361202) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
• PubChem CID: 30361202
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc(NC(=O)C2CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)n1
• InChI: InChI=1S/C23H25N5O4S/c1-3-32-22(30)19-14-33-23(24-19)25-21(29)16-10-12-28(13-11-16)20-9-8-18(26-27-20)15-4-6-17(31-2)7-5-15/h4-9,14,16H,3,10-13H2,1-2H3,(H,24,25,29)
• InChIKey: XJGRHRDZBFRTRQ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?

The IUPAC name of ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 30361202) is ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?

The canonical SMILES for ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)C2CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)n1.

What is the InChIKey of ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?

The InChIKey is XJGRHRDZBFRTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-3-32-22(30)19-14-33-23(24-19)25-21(29)16-10-12-28(13-11-16)20-9-8-18(26-27-20)15-4-6-17(31-2)7-5-15/h4-9,14,16H,3,10-13H2,1-2H3,(H,24,25,29).

What are the key properties of ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?

ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 30361202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).