3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine

C16H13ClN4S — CID 90399110

IUPAC3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3sc4ccc(Cl)cc4c3C)n2n1
InChIInChI=1S/C16H13ClN4S/c1-9-11-7-10(17)3-4-13(11)22-16(9)12-8-19-15-6-5-14(18-2)20-21(12)15/h3-8H,1-2H3,(H,18,20)
InChIKeyQCNRNZIJAHNNNV-UHFFFAOYSA-N
MW328.83 g/mol
LogP4.61
Rot. Bonds2

About 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine

3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 90399110) has the molecular formula C16H13ClN4S and a molecular weight of 328.83 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID90399110
Molecular FormulaC16H13ClN4S
Molecular Weight328.83 g/mol
Exact Mass328.05
IUPAC Name3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3sc4ccc(Cl)cc4c3C)n2n1
InChIInChI=1S/C16H13ClN4S/c1-9-11-7-10(17)3-4-13(11)22-16(9)12-8-19-15-6-5-14(18-2)20-21(12)15/h3-8H,1-2H3,(H,18,20)
InChIKeyQCNRNZIJAHNNNV-UHFFFAOYSA-N
XLogP4.61
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[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-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine (CID 90399110) is 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine is CNc1ccc2ncc(-c3sc4ccc(Cl)cc4c3C)n2n1.
What is the InChIKey of 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QCNRNZIJAHNNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4S/c1-9-11-7-10(17)3-4-13(11)22-16(9)12-8-19-15-6-5-14(18-2)20-21(12)15/h3-8H,1-2H3,(H,18,20).
What are the key properties of 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 328.83 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-N-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90399110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).