6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine

C70H82F2N16S3 — CID 159736852

IUPAC6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNC1.Cc1cn2cc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)ccc2n1
InChIInChI=1S/C26H32FN5S.C24H29FN6S.C20H21N5S/c1-15-8-18(14-32-13-16(2)28-23(15)32)17-9-20(27)22-21(10-17)33-24(29-22)31(7)19-11-25(3,4)30-26(5,6)12-19;1-14-13-31-20(26-14)8-7-18(28-31)15-9-17(25)21-19(10-15)32-22(27-21)30(6)16-11-23(2,3)29-24(4,5)12-16;1-24-12-15-9-13(3-5-17(15)23-24)14-4-6-18-19(10-14)26-20(22-18)25(2)16-7-8-21-11-16/h8-10,13-14,19,30H,11-12H2,1-7H3;7-10,13,16,29H,11-12H2,1-6H3;3-6,9-10,12,16,21H,7-8,11H2,1-2H3
InChIKeyNBYJLGUZSOAKNJ-UHFFFAOYSA-N
MW1281.73 g/mol
LogP14.96
Rot. Bonds9

About 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine

6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine (PubChem CID 159736852) has the molecular formula C70H82F2N16S3 and a molecular weight of 1281.73 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
PubChem CID159736852
Molecular FormulaC70H82F2N16S3
Molecular Weight1281.73 g/mol
Exact Mass1280.60
IUPAC Name6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNC1.Cc1cn2cc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)ccc2n1
InChIInChI=1S/C26H32FN5S.C24H29FN6S.C20H21N5S/c1-15-8-18(14-32-13-16(2)28-23(15)32)17-9-20(27)22-21(10-17)33-24(29-22)31(7)19-11-25(3,4)30-26(5,6)12-19;1-14-13-31-20(26-14)8-7-18(28-31)15-9-17(25)21-19(10-15)32-22(27-21)30(6)16-11-23(2,3)29-24(4,5)12-16;1-24-12-15-9-13(3-5-17(15)23-24)14-4-6-18-19(10-14)26-20(22-18)25(2)16-7-8-21-11-16/h8-10,13-14,19,30H,11-12H2,1-7H3;7-10,13,16,29H,11-12H2,1-6H3;3-6,9-10,12,16,21H,7-8,11H2,1-2H3
InChIKeyNBYJLGUZSOAKNJ-UHFFFAOYSA-N
XLogP14.96
TPSA149.79 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.73
LogP ≤ 514.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

(S)-6-(benzo[d]thiazol-6-yl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526082
6-[4-Amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515028
6-[4-Amino-1-[[3-(2-methylimidazol-1-yl)naphthalen-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 121403207
4-[6-[6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazol-2-yl]butanenitrile
CID 22031884
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
5-[4-[5-[2-(1,3-benzothiazol-6-yl)-4-[(2-ethyl-1H-imidazol-5-yl)methylimino]cyclooct-2-en-1-yl]-2-fluoro-3-methylphenyl]-1,3-benzothiazol-6-yl]-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 123389591
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
CID 123481644
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
N-[2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]phenyl]-1,3-benzothiazol-2-amine
CID 140003780
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

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine (CID 159736852) is 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine is CN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CCNC1.Cc1cn2cc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4c3)ccc2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is NBYJLGUZSOAKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5S.C24H29FN6S.C20H21N5S/c1-15-8-18(14-32-13-16(2)28-23(15)32)17-9-20(27)22-21(10-17)33-24(29-22)31(7)19-11-25(3,4)30-26(5,6)12-19;1-14-13-31-20(26-14)8-7-18(28-31)15-9-17(25)21-19(10-15)32-22(27-21)30(6)16-11-23(2,3)29-24(4,5)12-16;1-24-12-15-9-13(3-5-17(15)23-24)14-4-6-18-19(10-14)26-20(22-18)25(2)16-7-8-21-11-16/h8-10,13-14,19,30H,11-12H2,1-7H3;7-10,13,16,29H,11-12H2,1-6H3;3-6,9-10,12,16,21H,7-8,11H2,1-2H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 1281.73 g/mol, XLogP of 14.96, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;N-methyl-6-(2-methylindazol-5-yl)-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 159736852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).