N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine

C13H14N4S — CID 116821619

IUPACN-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
SMILESCNCCc1cn2nc(-c3cccs3)ccc2n1
InChIInChI=1S/C13H14N4S/c1-14-7-6-10-9-17-13(15-10)5-4-11(16-17)12-3-2-8-18-12/h2-5,8-9,14H,6-7H2,1H3
InChIKeyKBMFABKEOLWNEO-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine

N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine (PubChem CID 116821619) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
PubChem CID116821619
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC NameN-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
SMILESCNCCc1cn2nc(-c3cccs3)ccc2n1
InChIInChI=1S/C13H14N4S/c1-14-7-6-10-9-17-13(15-10)5-4-11(16-17)12-3-2-8-18-12/h2-5,8-9,14H,6-7H2,1H3
InChIKeyKBMFABKEOLWNEO-UHFFFAOYSA-N
XLogP2.22
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(6-phenylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821620
2-[6-(2-bromophenyl)imidazo[1,2-b]pyridazin-2-yl]-N-methylethanamine
CID 116821637
N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822351
N-methyl-2-[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
CID 116821638
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
(2S)-4-(methylamino)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]butan-2-ol
CID 67259161
2-[1-(2-fluoroethyl)-3-thiophen-2-ylpyrazol-4-yl]-N-methylethanamine
CID 121213845
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
6-chloro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130230
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine (CID 116821619) is N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine is CNCCc1cn2nc(-c3cccs3)ccc2n1.
What is the InChIKey of N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
The InChIKey is KBMFABKEOLWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-14-7-6-10-9-17-13(15-10)5-4-11(16-17)12-3-2-8-18-12/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine?
N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine has a molecular weight of 258.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine is sourced from PubChem (CID 116821619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).