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

C68H75F3N14S3 — CID 161453498

IUPAC6-(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
SMILESCc1cn2cc(-c3cc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4cn3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cn1cc2cc(-c3ccc4nc(C5CCNC(C)(C)C5)sc4c3)ccc2n1
InChIInChI=1S/C25H29F3N6S.C22H24N4S.C21H22N4S/c1-14-12-34-13-15(7-17(21(34)30-14)25(26,27)28)18-8-20-19(11-29-18)31-22(35-20)33(6)16-9-23(2,3)32-24(4,5)10-16;1-22(2)12-16(8-9-23-22)21-24-19-7-5-15(11-20(19)27-21)14-4-6-18-17(10-14)13-26(3)25-18;1-13-9-17(12-25-11-14(2)23-20(13)25)16-3-4-18-19(10-16)26-21(24-18)15-5-7-22-8-6-15/h7-8,11-13,16,32H,9-10H2,1-6H3;4-7,10-11,13,16,23H,8-9,12H2,1-3H3;3-4,9-12,15,22H,5-8H2,1-2H3
InChIKeyWAVOENWSLMNYGG-UHFFFAOYSA-N
MW1241.64 g/mol
LogP15.87
Rot. Bonds7

About 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

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 (PubChem CID 161453498) has the molecular formula C68H75F3N14S3 and a molecular weight of 1241.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID161453498
Molecular FormulaC68H75F3N14S3
Molecular Weight1241.64 g/mol
Exact Mass1240.54
IUPAC Name6-(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
SMILESCc1cn2cc(-c3cc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4cn3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cn1cc2cc(-c3ccc4nc(C5CCNC(C)(C)C5)sc4c3)ccc2n1
InChIInChI=1S/C25H29F3N6S.C22H24N4S.C21H22N4S/c1-14-12-34-13-15(7-17(21(34)30-14)25(26,27)28)18-8-20-19(11-29-18)31-22(35-20)33(6)16-9-23(2,3)32-24(4,5)10-16;1-22(2)12-16(8-9-23-22)21-24-19-7-5-15(11-20(19)27-21)14-4-6-18-17(10-14)13-26(3)25-18;1-13-9-17(12-25-11-14(2)23-20(13)25)16-3-4-18-19(10-16)26-21(24-18)15-5-7-22-8-6-15/h7-8,11-13,16,32H,9-10H2,1-6H3;4-7,10-11,13,16,23H,8-9,12H2,1-3H3;3-4,9-12,15,22H,5-8H2,1-2H3
InChIKeyWAVOENWSLMNYGG-UHFFFAOYSA-N
XLogP15.87
TPSA143.31 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.64
LogP ≤ 515.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

6-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-(3-isocyanopropyl)-1,3-benzothiazole
CID 23537597
4-[6-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazol-2-yl]butanenitrile
CID 68812612
2-Butyl-6-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
CID 91484485
2-N-ethyl-6-[6-[[4-[(6-fluoroimidazo[1,5-a]pyridin-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-methylamino]-1,3-benzothiazol-2-yl]-2-N-(2-phenylethyl)-4-N-(1,2,4-thiadiazol-5-yl)quinazoline-2,4-diamine
CID 142808318
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
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
6-[[6-(1-Methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-piperazin-1-ylquinoline;6-[[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]quinoline;1,1,1-trifluoro-2-iodoethane
CID 158316037
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 158430657
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
4-methyl-1-[2-(3-methylidenepiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-propyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(3H-pyrrol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 159185638
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2cc(-c3cc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4cn3)cc(C(F)(F)F)c2n1.Cc1cn2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(C)c2n1.Cn1cc2cc(-c3ccc4nc(C5CCNC(C)(C)C5)sc4c3)ccc2n1.
What is the InChIKey of 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?
The InChIKey is WAVOENWSLMNYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6S.C22H24N4S.C21H22N4S/c1-14-12-34-13-15(7-17(21(34)30-14)25(26,27)28)18-8-20-19(11-29-18)31-22(35-20)33(6)16-9-23(2,3)32-24(4,5)10-16;1-22(2)12-16(8-9-23-22)21-24-19-7-5-15(11-20(19)27-21)14-4-6-18-17(10-14)13-26(3)25-18;1-13-9-17(12-25-11-14(2)23-20(13)25)16-3-4-18-19(10-16)26-21(24-18)15-5-7-22-8-6-15/h7-8,11-13,16,32H,9-10H2,1-6H3;4-7,10-11,13,16,23H,8-9,12H2,1-3H3;3-4,9-12,15,22H,5-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1241.64 g/mol, XLogP of 15.87, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161453498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).