3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine

C17H16N4OS — CID 58857920

IUPAC3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C17H16N4OS/c1-22-9-8-18-16-6-7-17-19-11-13(21(17)20-16)15-10-12-4-2-3-5-14(12)23-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyMHOFVKZDDTWKSD-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.67
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857920) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857920
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C17H16N4OS/c1-22-9-8-18-16-6-7-17-19-11-13(21(17)20-16)15-10-12-4-2-3-5-14(12)23-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyMHOFVKZDDTWKSD-UHFFFAOYSA-N
XLogP3.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857920) is 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine is COCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MHOFVKZDDTWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-22-9-8-18-16-6-7-17-19-11-13(21(17)20-16)15-10-12-4-2-3-5-14(12)23-15/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 324.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).