2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine

C19H15N3S — CID 15750003

IUPAC2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine
SMILESCc1ccc(-c2cn3nc(Sc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C19H15N3S/c1-14-7-9-15(10-8-14)17-13-22-18(20-17)11-12-19(21-22)23-16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyCRXIQCVPZMAXKA-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.86
Rot. Bonds3

About 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine

2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 15750003) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine
PubChem CID15750003
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine
SMILESCc1ccc(-c2cn3nc(Sc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C19H15N3S/c1-14-7-9-15(10-8-14)17-13-22-18(20-17)11-12-19(21-22)23-16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyCRXIQCVPZMAXKA-UHFFFAOYSA-N
XLogP4.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)sulfanyl-2-phenylimidazo[1,2-b]pyridazine
CID 10568650
6-chloro-2-(4-phenylphenyl)imidazo[1,2-b]pyridazine
CID 15032578
2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
CID 10040299
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine
CID 10762137
2-(4-methylphenyl)-6-methylsulfanylimidazo[1,2-a]pyridine
CID 15179822
6-phenylsulfanyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 145061733
N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 7152126
N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 24753241
2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazine
CID 10379220

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine (CID 15750003) is 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine is Cc1ccc(-c2cn3nc(Sc4ccccc4)ccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is CRXIQCVPZMAXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-14-7-9-15(10-8-14)17-13-22-18(20-17)11-12-19(21-22)23-16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine?
2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 317.42 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 15750003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).