About 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate
5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 157202299) has the molecular formula C139H150FN35O17S10
and a molecular weight of 2922.62 g/mol. Its IUPAC name is 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate (CID 157202299) is 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is C=S(C)(=O)C1(c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)CC1.COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1C.COc1ccccc1OC(=O)N1CC(NC(=O)c2sc3nnc(C)c(C)c3c2N)C1.Cc1cccc(S(=O)(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1F.Cc1nnc2sc(C(=O)NC3CN(C(=O)N(C)c4ccccc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccc(C(C)C)cc4)C3)c(N)c2c1C.Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is AQXZYZADNWGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S.C21H24N4O2S2.C20H22N6O2S.C20H21N5O4S.C19H20FN5O3S2.C19H18N6OS2.C18H20N4O2S/c1-11(2)14-5-7-16(8-6-14)30-22(29)27-9-15(10-27)24-20(28)19-18(23)17-12(3)13(4)25-26-21(17)31-19;1-12-13(2)24-25-20-16(12)17(22)18(28-20)19(26)23-11-14-5-7-15(8-6-14)21(9-10-21)29(3,4)27;1-11-12(2)23-24-19-15(11)16(21)17(29-19)18(27)22-13-9-26(10-13)20(28)25(3)14-7-5-4-6-8-14;1-10-11(2)23-24-19-15(10)16(21)17(30-19)18(26)22-12-8-25(9-12)20(27)29-14-7-5-4-6-13(14)28-3;1-9-5-4-6-13(15(9)20)30(27,28)25-7-12(8-25)22-18(26)17-16(21)14-10(2)11(3)23-24-19(14)29-17;1-9-10(2)23-24-18-14(9)15(20)16(28-18)17(26)21-11-7-25(8-11)19-22-12-5-3-4-6-13(12)27-19;1-9-7-12(5-6-13(9)24-4)8-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)25-16/h5-8,11,15H,9-10,23H2,1-4H3,(H,24,28);5-8H,3,9-11,22H2,1-2,4H3,(H,23,26);4-8,13H,9-10,21H2,1-3H3,(H,22,27);4-7,12H,8-9,21H2,1-3H3,(H,22,26);4-6,12H,7-8,21H2,1-3H3,(H,22,26);3-6,11H,7-8,20H2,1-2H3,(H,21,26);5-7H,8,19H2,1-4H3,(H,20,23).
What are the key properties of 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate?
5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 2922.62 g/mol, XLogP of 20.25, 27 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-[1-(methyl-methylidene-oxo-λ6-sulfanyl)cyclopropyl]phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-[methyl(phenyl)carbamoyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[1-(2-fluoro-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[(4-methoxy-3-methylphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;(2-methoxyphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate;(4-propan-2-ylphenyl) 3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 157202299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).