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

C20H20FN5S — CID 150680129

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1
InChIInChI=1S/C20H20FN5S/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
InChIKeyJHRQKRWAQCNEMT-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.23
Rot. Bonds2

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

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 150680129) has the molecular formula C20H20FN5S and a molecular weight of 381.48 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.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID150680129
Molecular FormulaC20H20FN5S
Molecular Weight381.48 g/mol
Exact Mass381.14
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1
InChIInChI=1S/C20H20FN5S/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
InChIKeyJHRQKRWAQCNEMT-UHFFFAOYSA-N
XLogP4.23
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole (CID 150680129) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole.
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?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is JHRQKRWAQCNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5S/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.
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?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 381.48 g/mol, XLogP of 4.23, 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 is sourced from PubChem (CID 150680129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).