2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine

C18H21N3O2S — CID 11739416

IUPAC2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2cn3nc(SC(C)C)ccc3n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-13(2)24-18-9-8-17-19-16(12-21(17)20-18)14-4-6-15(7-5-14)23-11-10-22-3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyHUANCFZTINBOBD-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.92
Rot. Bonds7

About 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine

2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 11739416) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
PubChem CID11739416
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2cn3nc(SC(C)C)ccc3n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-13(2)24-18-9-8-17-19-16(12-21(17)20-18)14-4-6-15(7-5-14)23-11-10-22-3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyHUANCFZTINBOBD-UHFFFAOYSA-N
XLogP3.92
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine (CID 11739416) is 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine is COCCOc1ccc(-c2cn3nc(SC(C)C)ccc3n2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is HUANCFZTINBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(2)24-18-9-8-17-19-16(12-21(17)20-18)14-4-6-15(7-5-14)23-11-10-22-3/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 343.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).