2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine

C19H23N3O2S — CID 11417016

IUPAC2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
SMILESCOCCOc1cccc(-c2nc3ccc(SC(C)C)nn3c2C)c1
InChIInChI=1S/C19H23N3O2S/c1-13(2)25-18-9-8-17-20-19(14(3)22(17)21-18)15-6-5-7-16(12-15)24-11-10-23-4/h5-9,12-13H,10-11H2,1-4H3
InChIKeyVEAKZVFNXMJOGT-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.23
Rot. Bonds7

About 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine

2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 11417016) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
PubChem CID11417016
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine
SMILESCOCCOc1cccc(-c2nc3ccc(SC(C)C)nn3c2C)c1
InChIInChI=1S/C19H23N3O2S/c1-13(2)25-18-9-8-17-20-19(14(3)22(17)21-18)15-6-5-7-16(12-15)24-11-10-23-4/h5-9,12-13H,10-11H2,1-4H3
InChIKeyVEAKZVFNXMJOGT-UHFFFAOYSA-N
XLogP4.23
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.23
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-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine (CID 11417016) is 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine is COCCOc1cccc(-c2nc3ccc(SC(C)C)nn3c2C)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is VEAKZVFNXMJOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(2)25-18-9-8-17-20-19(14(3)22(17)21-18)15-6-5-7-16(12-15)24-11-10-23-4/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine?
2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 357.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-propan-2-ylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11417016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).