6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride

C20H21ClFN5S — CID 153383064

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cl
InChIInChI=1S/C20H20FN5S.ClH/c1-11-7-16(25-26-10-12(2)23-19(11)26)14-8-15(21)18-17(9-14)27-20(24-18)13-3-5-22-6-4-13;/h7-10,13,22H,3-6H2,1-2H3;1H
InChIKeyWEXKEYJOOLUGRN-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.65
Rot. Bonds2

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride (PubChem CID 153383064) has the molecular formula C20H21ClFN5S and a molecular weight of 417.94 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
PubChem CID153383064
Molecular FormulaC20H21ClFN5S
Molecular Weight417.94 g/mol
Exact Mass417.12
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cl
InChIInChI=1S/C20H20FN5S.ClH/c1-11-7-16(25-26-10-12(2)23-19(11)26)14-8-15(21)18-17(9-14)27-20(24-18)13-3-5-22-6-4-13;/h7-10,13,22H,3-6H2,1-2H3;1H
InChIKeyWEXKEYJOOLUGRN-UHFFFAOYSA-N
XLogP4.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride (CID 153383064) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cl.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
The InChIKey is WEXKEYJOOLUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5S.ClH/c1-11-7-16(25-26-10-12(2)23-19(11)26)14-8-15(21)18-17(9-14)27-20(24-18)13-3-5-22-6-4-13;/h7-10,13,22H,3-6H2,1-2H3;1H.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 153383064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).