N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide

C18H14N4OS — CID 155540413

IUPACN-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1
InChIInChI=1S/C18H14N4OS/c1-12(23)20-14-6-4-13(5-7-14)16-11-19-18-9-8-15(21-22(16)18)17-3-2-10-24-17/h2-11H,1H3,(H,20,23)
InChIKeyGJGLKZHILYWLRI-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.08
Rot. Bonds3

About N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide

N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide (PubChem CID 155540413) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
PubChem CID155540413
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1
InChIInChI=1S/C18H14N4OS/c1-12(23)20-14-6-4-13(5-7-14)16-11-19-18-9-8-15(21-22(16)18)17-3-2-10-24-17/h2-11H,1H3,(H,20,23)
InChIKeyGJGLKZHILYWLRI-UHFFFAOYSA-N
XLogP4.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide (CID 155540413) is N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc3ccc(-c4cccs4)nn23)cc1.
What is the InChIKey of N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The InChIKey is GJGLKZHILYWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12(23)20-14-6-4-13(5-7-14)16-11-19-18-9-8-15(21-22(16)18)17-3-2-10-24-17/h2-11H,1H3,(H,20,23).
What are the key properties of N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 155540413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).