(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine

C12H12N4S — CID 121245147

IUPAC(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine
SMILESC[C@H](N)c1cc2nccn2nc1-c1ccsc1
InChIInChI=1S/C12H12N4S/c1-8(13)10-6-11-14-3-4-16(11)15-12(10)9-2-5-17-7-9/h2-8H,13H2,1H3/t8-/m0/s1
InChIKeyMBAFVMXVHHLLAD-QMMMGPOBSA-N
MW244.32 g/mol
LogP2.48
Rot. Bonds2

About (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine

(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine (PubChem CID 121245147) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine
PubChem CID121245147
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine
SMILESC[C@H](N)c1cc2nccn2nc1-c1ccsc1
InChIInChI=1S/C12H12N4S/c1-8(13)10-6-11-14-3-4-16(11)15-12(10)9-2-5-17-7-9/h2-8H,13H2,1H3/t8-/m0/s1
InChIKeyMBAFVMXVHHLLAD-QMMMGPOBSA-N
XLogP2.48
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
7-(Cyclopropylamino)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70692773
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
US9737542, Example 9
CID 118008699
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
7-Amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70690634
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine?
The IUPAC name of (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine (CID 121245147) is (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine.
What is the SMILES notation for (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine?
The canonical SMILES for (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine is C[C@H](N)c1cc2nccn2nc1-c1ccsc1.
What is the InChIKey of (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine?
The InChIKey is MBAFVMXVHHLLAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8(13)10-6-11-14-3-4-16(11)15-12(10)9-2-5-17-7-9/h2-8H,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine?
(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine has a molecular weight of 244.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine is sourced from PubChem (CID 121245147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).