6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole

C65H68F2N12OS3 — CID 159897986

IUPAC6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole
SMILESCc1cn2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(F)c2n1.Cc1nc2ccc(-c3ccc4nc(C5CCNCC5)sc4c3)cc2o1
InChIInChI=1S/C25H30FN5S.C20H19FN4S.C20H19N3OS/c1-15-13-31-14-17(9-19(26)22(31)27-15)16-7-8-20-21(10-16)32-23(28-20)30(6)18-11-24(2,3)29-25(4,5)12-18;1-12-10-25-11-15(8-16(21)19(25)23-12)14-2-3-17-18(9-14)26-20(24-17)13-4-6-22-7-5-13;1-12-22-16-4-2-14(10-18(16)24-12)15-3-5-17-19(11-15)25-20(23-17)13-6-8-21-9-7-13/h7-10,13-14,18,29H,11-12H2,1-6H3;2-3,8-11,13,22H,4-7H2,1H3;2-5,10-11,13,21H,6-9H2,1H3
InChIKeyNVOYXOWUGYAIBS-UHFFFAOYSA-N
MW1167.54 g/mol
LogP15.21
Rot. Bonds7

About 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole

6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole (PubChem CID 159897986) has the molecular formula C65H68F2N12OS3 and a molecular weight of 1167.54 g/mol. Its IUPAC name is 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole
PubChem CID159897986
Molecular FormulaC65H68F2N12OS3
Molecular Weight1167.54 g/mol
Exact Mass1166.48
IUPAC Name6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole
SMILESCc1cn2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(F)c2n1.Cc1nc2ccc(-c3ccc4nc(C5CCNCC5)sc4c3)cc2o1
InChIInChI=1S/C25H30FN5S.C20H19FN4S.C20H19N3OS/c1-15-13-31-14-17(9-19(26)22(31)27-15)16-7-8-20-21(10-16)32-23(28-20)30(6)18-11-24(2,3)29-25(4,5)12-18;1-12-10-25-11-15(8-16(21)19(25)23-12)14-2-3-17-18(9-14)26-20(24-17)13-4-6-22-7-5-13;1-12-22-16-4-2-14(10-18(16)24-12)15-3-5-17-19(11-15)25-20(23-17)13-6-8-21-9-7-13/h7-10,13-14,18,29H,11-12H2,1-6H3;2-3,8-11,13,22H,4-7H2,1H3;2-5,10-11,13,21H,6-9H2,1H3
InChIKeyNVOYXOWUGYAIBS-UHFFFAOYSA-N
XLogP15.21
TPSA138.63 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.54
LogP ≤ 515.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 157838250
4-[2-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;2-[4-[[2-(2-cyano-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide;2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]oxazolo[4,5-d]pyrimidine;2-methyl-2-[4-[[5-(2-methyl-1-benzofuran-3-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]propanamide
CID 157947850
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 158365916
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 158490789
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087

Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
The IUPAC name of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole (CID 159897986) is 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole is Cc1cn2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(F)c2n1.Cc1nc2ccc(-c3ccc4nc(C5CCNCC5)sc4c3)cc2o1.
What is the InChIKey of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
The InChIKey is NVOYXOWUGYAIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5S.C20H19FN4S.C20H19N3OS/c1-15-13-31-14-17(9-19(26)22(31)27-15)16-7-8-20-21(10-16)32-23(28-20)30(6)18-11-24(2,3)29-25(4,5)12-18;1-12-10-25-11-15(8-16(21)19(25)23-12)14-2-3-17-18(9-14)26-20(24-17)13-4-6-22-7-5-13;1-12-22-16-4-2-14(10-18(16)24-12)15-3-5-17-19(11-15)25-20(23-17)13-6-8-21-9-7-13/h7-10,13-14,18,29H,11-12H2,1-6H3;2-3,8-11,13,22H,4-7H2,1H3;2-5,10-11,13,21H,6-9H2,1H3.
What are the key properties of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole?
6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole has a molecular weight of 1167.54 g/mol, XLogP of 15.21, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-6-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 159897986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).