2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C18H19N5O2S2 — CID 26350107

About 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 26350107) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
• PubChem CID: 26350107
• Molecular Formula: C18H19N5O2S2
• Molecular Weight: 401.52 g/mol
• Exact Mass: 401.10
• IUPAC Name: 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
• SMILES: O=C(COc1ccc(N2CCCC2)nn1)NCc1csc(-c2cccs2)n1
• InChI: InChI=1S/C18H19N5O2S2/c24-16(19-10-13-12-27-18(20-13)14-4-3-9-26-14)11-25-17-6-5-15(21-22-17)23-7-1-2-8-23/h3-6,9,12H,1-2,7-8,10-11H2,(H,19,24)
• InChIKey: DYACNYKKVJNKNA-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.52
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?

The IUPAC name of 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 26350107) is 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

What is the SMILES notation for 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?

The canonical SMILES for 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is O=C(COc1ccc(N2CCCC2)nn1)NCc1csc(-c2cccs2)n1.

What is the InChIKey of 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?

The InChIKey is DYACNYKKVJNKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c24-16(19-10-13-12-27-18(20-13)14-4-3-9-26-14)11-25-17-6-5-15(21-22-17)23-7-1-2-8-23/h3-6,9,12H,1-2,7-8,10-11H2,(H,19,24).

What are the key properties of 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?

2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 401.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 26350107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).