6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine

C21H17N3S — CID 10405185

IUPAC6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine
SMILESC(=C/c1cn2nc(SCc3ccccc3)ccc2n1)\c1ccccc1
InChIInChI=1S/C21H17N3S/c1-3-7-17(8-4-1)11-12-19-15-24-20(22-19)13-14-21(23-24)25-16-18-9-5-2-6-10-18/h1-15H,16H2/b12-11+
InChIKeyRHPWOBQLWFRSGS-VAWYXSNFSA-N
MW343.46 g/mol
LogP5.19
Rot. Bonds5

About 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine

6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine (PubChem CID 10405185) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine
PubChem CID10405185
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine
SMILESC(=C/c1cn2nc(SCc3ccccc3)ccc2n1)\c1ccccc1
InChIInChI=1S/C21H17N3S/c1-3-7-17(8-4-1)11-12-19-15-24-20(22-19)13-14-21(23-24)25-16-18-9-5-2-6-10-18/h1-15H,16H2/b12-11+
InChIKeyRHPWOBQLWFRSGS-VAWYXSNFSA-N
XLogP5.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine
CID 15032574
4-benzylsulfanyl-1-methylimidazole
CID 19810957
2-benzylsulfanyl-7-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188223
2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3305182
4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde
CID 14042790
3-benzylsulfanylprop-1-enylbenzene
CID 71388292
4-benzylsulfanyltriazol-1-amine
CID 21423107
4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531114
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11558521
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
3-benzylsulfanyl-1-(2,2-difluoroethyl)pyrazole
CID 164931939
1-benzylsulfanyl-3-(3-bromoprop-1-enyl)benzene
CID 54180281

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine (CID 10405185) is 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine is C(=C/c1cn2nc(SCc3ccccc3)ccc2n1)\c1ccccc1.
What is the InChIKey of 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine?
The InChIKey is RHPWOBQLWFRSGS-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H17N3S/c1-3-7-17(8-4-1)11-12-19-15-24-20(22-19)13-14-21(23-24)25-16-18-9-5-2-6-10-18/h1-15H,16H2/b12-11+.
What are the key properties of 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine?
6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine has a molecular weight of 343.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 10405185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).