tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride

C67H70Cl2F3N15O4S3 — CID 162145092

IUPACtert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride
SMILESCc1cn2nc(-c3cc(F)c4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.Cl.Cl
InChIInChI=1S/C24H26FN5O2S.C24H24FN5O2S.C19H18FN5S.2ClH/c2*1-14-13-30-20(26-14)6-5-18(28-30)16-11-17(25)21-19(12-16)33-22(27-21)15-7-9-29(10-8-15)23(31)32-24(2,3)4;1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12;;/h5-6,11-13,15H,7-10H2,1-4H3;5-7,11-13H,8-10H2,1-4H3;2-3,8-10,12,21H,4-7H2,1H3;2*1H
InChIKeyCLBWMFORCXKHKN-UHFFFAOYSA-N
MW1373.50 g/mol
LogP15.81
Rot. Bonds6

About tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride

tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride (PubChem CID 162145092) has the molecular formula C67H70Cl2F3N15O4S3 and a molecular weight of 1373.50 g/mol. Its IUPAC name is tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride
PubChem CID162145092
Molecular FormulaC67H70Cl2F3N15O4S3
Molecular Weight1373.50 g/mol
Exact Mass1371.42
IUPAC Nametert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride
SMILESCc1cn2nc(-c3cc(F)c4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.Cl.Cl
InChIInChI=1S/C24H26FN5O2S.C24H24FN5O2S.C19H18FN5S.2ClH/c2*1-14-13-30-20(26-14)6-5-18(28-30)16-11-17(25)21-19(12-16)33-22(27-21)15-7-9-29(10-8-15)23(31)32-24(2,3)4;1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12;;/h5-6,11-13,15H,7-10H2,1-4H3;5-7,11-13H,8-10H2,1-4H3;2-3,8-10,12,21H,4-7H2,1H3;2*1H
InChIKeyCLBWMFORCXKHKN-UHFFFAOYSA-N
XLogP15.81
TPSA200.35 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.50
LogP ≤ 515.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride with MolForge

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Related Compounds

Tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate
CID 153383263
tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153383337
Tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]piperidine-1-carboxylate
CID 153383401
Tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate
CID 153383405
Tert-butyl 4-[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]methylamino]piperidine-1-carboxylate
CID 156310119
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
CID 159240111
CID 159240111
Cyclopropylmethyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 159257352
Tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole
CID 159478825
2-[[5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1,3-benzothiazole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine;2-[4-[3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-4H-pyrazol-1-ium-1-yl]ethanol;3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 160132828
tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole
CID 161377253
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-(2,2-dimethylpiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161453498

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride?
The IUPAC name of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride (CID 162145092) is tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride.
What is the SMILES notation for tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride?
The canonical SMILES for tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride is Cc1cn2nc(-c3cc(F)c4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.Cl.Cl.
What is the InChIKey of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride?
The InChIKey is CLBWMFORCXKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S.C24H24FN5O2S.C19H18FN5S.2ClH/c2*1-14-13-30-20(26-14)6-5-18(28-30)16-11-17(25)21-19(12-16)33-22(27-21)15-7-9-29(10-8-15)23(31)32-24(2,3)4;1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12;;/h5-6,11-13,15H,7-10H2,1-4H3;5-7,11-13H,8-10H2,1-4H3;2-3,8-10,12,21H,4-7H2,1H3;2*1H.
What are the key properties of tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride?
tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride has a molecular weight of 1373.50 g/mol, XLogP of 15.81, 6 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;dihydrochloride is sourced from PubChem (CID 162145092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).