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

C19H19FN6S — CID 149029650

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(C)c2n1
InChIInChI=1S/C19H19FN6S/c1-11-7-15(24-26-10-12(2)22-18(11)26)13-8-14(20)17-16(9-13)27-19(23-17)25-5-3-21-4-6-25/h7-10,21H,3-6H2,1-2H3
InChIKeyQFESEACJIZYSEA-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.17
Rot. Bonds2

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

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole (PubChem CID 149029650) has the molecular formula C19H19FN6S and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole
PubChem CID149029650
Molecular FormulaC19H19FN6S
Molecular Weight382.47 g/mol
Exact Mass382.14
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(C)c2n1
InChIInChI=1S/C19H19FN6S/c1-11-7-15(24-26-10-12(2)22-18(11)26)13-8-14(20)17-16(9-13)27-19(23-17)25-5-3-21-4-6-25/h7-10,21H,3-6H2,1-2H3
InChIKeyQFESEACJIZYSEA-UHFFFAOYSA-N
XLogP3.17
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-piperazin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole (CID 149029650) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole is Cc1cn2nc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole?
The InChIKey is QFESEACJIZYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6S/c1-11-7-15(24-26-10-12(2)22-18(11)26)13-8-14(20)17-16(9-13)27-19(23-17)25-5-3-21-4-6-25/h7-10,21H,3-6H2,1-2H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole has a molecular weight of 382.47 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 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-piperazin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 149029650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).