About N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane
N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane (PubChem CID 158473850) has the molecular formula C115H153F5N36O10S5
and a molecular weight of 2455.06 g/mol. Its IUPAC name is N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane.
Frequently Asked Questions
What is the IUPAC name of N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane?
The IUPAC name of N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane (CID 158473850) is N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane.
What is the SMILES notation for N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane?
The canonical SMILES for N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane is C.C.C.C.C.CCNC(=O)N1CCN(C(=O)c2nc(N[C@@H](C)c3cncc(F)c3)nc3nc(C)sc23)C1.Cc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)CCCNC(=O)NC(C)(C)C)c2s1.Cc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)C(C)(C)C)C3)c2s1.Cc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCN(C(=O)CC(C)(C)C)C3)c2s1.Cc1nc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CCN(C(=O)NC(C)(C)C)C3)c2s1.
What is the InChIKey of N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane?
The InChIKey is HGRMFQNXBCROJH-XOXFVEMQSA-N. The full InChI is InChI=1S/C23H28FN7O2S.C23H27FN6O2S.C22H27FN8O2S.C22H28FN7O2S.C20H23FN8O2S.5CH4/c1-13(15-8-16(24)11-25-10-15)26-22-28-18(19-20(29-22)27-14(2)34-19)21(33)31-7-6-30(12-31)17(32)9-23(3,4)5;1-12(15-7-16(24)9-25-8-15)26-22-28-18(19-20(29-22)27-13(2)33-19)21(32)30-10-14(11-30)6-17(31)23(3,4)5;1-12(14-8-15(23)10-24-9-14)25-20-27-16(17-18(28-20)26-13(2)34-17)19(32)30-6-7-31(11-30)21(33)29-22(3,4)5;1-12(14-9-15(23)11-24-10-14)26-20-28-17(18-19(29-20)27-13(2)33-18)16(31)7-6-8-25-21(32)30-22(3,4)5;1-4-23-20(31)29-6-5-28(10-29)18(30)15-16-17(25-12(3)32-16)27-19(26-15)24-11(2)13-7-14(21)9-22-8-13;;;;;/h8,10-11,13H,6-7,9,12H2,1-5H3,(H,26,28,29);7-9,12,14H,6,10-11H2,1-5H3,(H,26,28,29);8-10,12H,6-7,11H2,1-5H3,(H,29,33)(H,25,27,28);9-12H,6-8H2,1-5H3,(H2,25,30,32)(H,26,28,29);7-9,11H,4-6,10H2,1-3H3,(H,23,31)(H,24,26,27);5*1H4/t13-;3*12-;11-;;;;;/m00000...../s1.
What are the key properties of N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane?
N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane has a molecular weight of 2455.06 g/mol, XLogP of 21.17, 28 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-tert-butyl-3-[4-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-oxobutyl]urea;N-ethyl-3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidine-1-carboxamide;1-[1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3,3-dimethylbutan-2-one;1-[3-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-one;methane is sourced from PubChem (CID 158473850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).