3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine

C17H10F3N3S2 — CID 71578246

IUPAC3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-12(9-11)25-16-7-6-15-21-10-13(23(15)22-16)14-5-2-8-24-14/h1-10H
InChIKeyUFDDCZGSWBHPKB-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.63
Rot. Bonds3

About 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine

3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine (PubChem CID 71578246) has the molecular formula C17H10F3N3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine
PubChem CID71578246
Molecular FormulaC17H10F3N3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC Name3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3n2)c1
InChIInChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-12(9-11)25-16-7-6-15-21-10-13(23(15)22-16)14-5-2-8-24-14/h1-10H
InChIKeyUFDDCZGSWBHPKB-UHFFFAOYSA-N
XLogP5.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine (CID 71578246) is 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine is FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3n2)c1.
What is the InChIKey of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine?
The InChIKey is UFDDCZGSWBHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-12(9-11)25-16-7-6-15-21-10-13(23(15)22-16)14-5-2-8-24-14/h1-10H.
What are the key properties of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine?
3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine has a molecular weight of 377.42 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 71578246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).