3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide

C17H12N4OS — CID 155545820

IUPAC3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H12N4OS/c18-17(22)12-4-1-3-11(9-12)13-6-7-16-19-10-14(21(16)20-13)15-5-2-8-23-15/h1-10H,(H2,18,22)
InChIKeyJRNPXLHFKHBZBV-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.22
Rot. Bonds3

About 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide

3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide (PubChem CID 155545820) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide.

Molecular Properties

Compound Name3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide
PubChem CID155545820
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H12N4OS/c18-17(22)12-4-1-3-11(9-12)13-6-7-16-19-10-14(21(16)20-13)15-5-2-8-23-15/h1-10H,(H2,18,22)
InChIKeyJRNPXLHFKHBZBV-UHFFFAOYSA-N
XLogP3.22
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide?
The IUPAC name of 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide (CID 155545820) is 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide.
What is the SMILES notation for 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide?
The canonical SMILES for 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide is NC(=O)c1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide?
The InChIKey is JRNPXLHFKHBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-17(22)12-4-1-3-11(9-12)13-6-7-16-19-10-14(21(16)20-13)15-5-2-8-23-15/h1-10H,(H2,18,22).
What are the key properties of 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide?
3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide has a molecular weight of 320.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)benzamide is sourced from PubChem (CID 155545820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).