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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C63H67F2N17S3 — CID 158818965

IUPAC6-(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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cc1nc2ccc(-c3ccc4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)nn2n1
InChIInChI=1S/C23H29N7S.C20H20FN5S.C20H18FN5S/c1-14-24-20-10-9-17(27-30(20)26-14)15-7-8-18-19(11-15)31-21(25-18)29(6)16-12-22(2,3)28-23(4,5)13-16;2*1-11-7-16(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/h7-11,16,28H,12-13H2,1-6H3;7-10,13,22H,3-6H2,1-2H3;3,7-10,22H,4-6H2,1-2H3
InChIKeyIVPWXWJNDMWPDD-UHFFFAOYSA-N
MW1196.54 g/mol
LogP12.82
Rot. Bonds7

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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 158818965) has the molecular formula C63H67F2N17S3 and a molecular weight of 1196.54 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;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID158818965
Molecular FormulaC63H67F2N17S3
Molecular Weight1196.54 g/mol
Exact Mass1195.49
IUPAC Name6-(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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cc1nc2ccc(-c3ccc4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)nn2n1
InChIInChI=1S/C23H29N7S.C20H20FN5S.C20H18FN5S/c1-14-24-20-10-9-17(27-30(20)26-14)15-7-8-18-19(11-15)31-21(25-18)29(6)16-12-22(2,3)28-23(4,5)13-16;2*1-11-7-16(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/h7-11,16,28H,12-13H2,1-6H3;7-10,13,22H,3-6H2,1-2H3;3,7-10,22H,4-6H2,1-2H3
InChIKeyIVPWXWJNDMWPDD-UHFFFAOYSA-N
XLogP12.82
TPSA181.46 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.54
LogP ≤ 512.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

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CID 68812612
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2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
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2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
6-(2,8-Dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,5-dimethylpiperazin-1-yl)-4-fluoro-1,3-benzothiazole
CID 148183645
6-(2,8-Dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperazin-1-yl-1,3-benzothiazole
CID 149029650
6-(8-amino-2-methylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
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4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[(2R)-2-methylpiperidin-4-yl]-1,3-benzothiazole
CID 149756906
2-(1,2,3,5,6,7,8,8a-Octahydroindolizin-7-yl)-4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazole
CID 149874025

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;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name 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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 158818965) is 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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
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;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cc1nc2ccc(-c3ccc4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)nn2n1.
What is the InChIKey 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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is IVPWXWJNDMWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7S.C20H20FN5S.C20H18FN5S/c1-14-24-20-10-9-17(27-30(20)26-14)15-7-8-18-19(11-15)31-21(25-18)29(6)16-12-22(2,3)28-23(4,5)13-16;2*1-11-7-16(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/h7-11,16,28H,12-13H2,1-6H3;7-10,13,22H,3-6H2,1-2H3;3,7-10,22H,4-6H2,1-2H3.
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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
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-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 1196.54 g/mol, XLogP of 12.82, 7 rotatable bonds, 3 hydrogen bond donors, and 20 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;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 158818965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).