6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

C220H259N47O22S21 — CID 157176261

IUPAC6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCNC1C(=O)C(Cc2cnc(C)s2)CCc2ccsc21.CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCc2ccsc21.CNC1C(=O)N(CC2=CC=CC2(C)C)CCc2ccsc21.CNC1C(=O)N(Cc2ccno2)CCc2ccsc21.CNC1C(=O)N(Cc2ccoc2)CCc2ccsc21.CNC1C(=O)N(Cc2ccsc2)CCc2ccsc21.CNC1C(=O)N(Cc2cnc(C)o2)CCc2ccsc21.CNC1C(=O)N(Cc2cnco2)CCc2ccsc21.CNC1C(=O)N(Cc2cncs2)CCc2ccsc21.CNC1C(=O)N(Cc2ncc[nH]2)CCc2ccsc21.CNC1C(=O)N(Cc2ncco2)CCc2ccsc21.CNC1C(=O)N(Cc2nccs2)CCc2ccsc21.CNC1C(=O)N(Cc2nnco2)CCc2ccsc21.CNC1C(=O)N(Cc2nncs2)CCc2ccsc21.CNC1C(=O)N(c2ccccc2)CCc2ncsc21.CNC1C(=O)N(c2ccccn2)CCc2ncsc21
InChIInChI=1S/2C17H22N2OS.C15H18N2OS2.C14H17N3O2S.C14H15N3OS.C14H16N2O2S.C14H16N2OS2.C13H16N4OS.C13H14N4OS.3C13H15N3O2S.2C13H15N3OS2.C12H14N4O2S.C12H14N4OS2/c1-17(2)7-4-12(10-17)11-19-8-5-13-6-9-21-15(13)14(18-3)16(19)20;1-17(2)8-4-5-13(17)11-19-9-6-12-7-10-21-15(12)14(18-3)16(19)20;1-9-17-8-12(20-9)7-11-4-3-10-5-6-19-15(10)13(16-2)14(11)18;1-9-16-7-11(19-9)8-17-5-3-10-4-6-20-13(10)12(15-2)14(17)18;1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10;2*1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)8-10-15-4-5-16-10;1-14-11-12-9(16-8-19-12)5-7-17(13(11)18)10-4-2-3-6-15-10;1-14-11-12-9(3-7-19-12)2-5-16(13(11)17)8-10-15-4-6-18-10;1-14-11-12-9(4-7-19-12)3-6-16(13(11)17)8-10-2-5-15-18-10;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)7-10-6-15-8-18-10;1-14-11-12-9(3-6-19-12)2-5-16(13(11)17)8-10-15-4-7-18-10;1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-15-14-7-18-9;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-15-14-7-19-9/h4,6-7,9-10,14,18H,5,8,11H2,1-3H3;4-5,7-8,10,14,18H,6,9,11H2,1-3H3;5-6,8,11,13,16H,3-4,7H2,1-2H3;4,6-7,12,15H,3,5,8H2,1-2H3;2-6,9,12,15H,7-8H2,1H3;2*3-4,6-7,9,12,15H,2,5,8H2,1H3;3-5,7,11,14H,2,6,8H2,1H3,(H,15,16);2-4,6,8,11,14H,5,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;2,4-5,7,11,14H,3,6,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;2*3,5,7,10,13H,2,4,6H2,1H3
InChIKeyAOAPZQRQBBEISD-UHFFFAOYSA-N
MW4587.21 g/mol
LogP31.67
Rot. Bonds46

About 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (PubChem CID 157176261) has the molecular formula C220H259N47O22S21 and a molecular weight of 4587.21 g/mol. Its IUPAC name is 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
PubChem CID157176261
Molecular FormulaC220H259N47O22S21
Molecular Weight4587.21 g/mol
Exact Mass4582.47
IUPAC Name6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCNC1C(=O)C(Cc2cnc(C)s2)CCc2ccsc21.CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCc2ccsc21.CNC1C(=O)N(CC2=CC=CC2(C)C)CCc2ccsc21.CNC1C(=O)N(Cc2ccno2)CCc2ccsc21.CNC1C(=O)N(Cc2ccoc2)CCc2ccsc21.CNC1C(=O)N(Cc2ccsc2)CCc2ccsc21.CNC1C(=O)N(Cc2cnc(C)o2)CCc2ccsc21.CNC1C(=O)N(Cc2cnco2)CCc2ccsc21.CNC1C(=O)N(Cc2cncs2)CCc2ccsc21.CNC1C(=O)N(Cc2ncc[nH]2)CCc2ccsc21.CNC1C(=O)N(Cc2ncco2)CCc2ccsc21.CNC1C(=O)N(Cc2nccs2)CCc2ccsc21.CNC1C(=O)N(Cc2nnco2)CCc2ccsc21.CNC1C(=O)N(Cc2nncs2)CCc2ccsc21.CNC1C(=O)N(c2ccccc2)CCc2ncsc21.CNC1C(=O)N(c2ccccn2)CCc2ncsc21
InChIInChI=1S/2C17H22N2OS.C15H18N2OS2.C14H17N3O2S.C14H15N3OS.C14H16N2O2S.C14H16N2OS2.C13H16N4OS.C13H14N4OS.3C13H15N3O2S.2C13H15N3OS2.C12H14N4O2S.C12H14N4OS2/c1-17(2)7-4-12(10-17)11-19-8-5-13-6-9-21-15(13)14(18-3)16(19)20;1-17(2)8-4-5-13(17)11-19-9-6-12-7-10-21-15(12)14(18-3)16(19)20;1-9-17-8-12(20-9)7-11-4-3-10-5-6-19-15(10)13(16-2)14(11)18;1-9-16-7-11(19-9)8-17-5-3-10-4-6-20-13(10)12(15-2)14(17)18;1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10;2*1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)8-10-15-4-5-16-10;1-14-11-12-9(16-8-19-12)5-7-17(13(11)18)10-4-2-3-6-15-10;1-14-11-12-9(3-7-19-12)2-5-16(13(11)17)8-10-15-4-6-18-10;1-14-11-12-9(4-7-19-12)3-6-16(13(11)17)8-10-2-5-15-18-10;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)7-10-6-15-8-18-10;1-14-11-12-9(3-6-19-12)2-5-16(13(11)17)8-10-15-4-7-18-10;1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-15-14-7-18-9;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-15-14-7-19-9/h4,6-7,9-10,14,18H,5,8,11H2,1-3H3;4-5,7-8,10,14,18H,6,9,11H2,1-3H3;5-6,8,11,13,16H,3-4,7H2,1-2H3;4,6-7,12,15H,3,5,8H2,1-2H3;2-6,9,12,15H,7-8H2,1H3;2*3-4,6-7,9,12,15H,2,5,8H2,1H3;3-5,7,11,14H,2,6,8H2,1H3,(H,15,16);2-4,6,8,11,14H,5,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;2,4-5,7,11,14H,3,6,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;2*3,5,7,10,13H,2,4,6H2,1H3
InChIKeyAOAPZQRQBBEISD-UHFFFAOYSA-N
XLogP31.67
TPSA802.18 Ų
H-Bond Donors17
H-Bond Acceptors74
Rotatable Bonds46
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004587.21
LogP ≤ 531.67
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1074

Analyze 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The IUPAC name of 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (CID 157176261) is 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.
What is the SMILES notation for 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The canonical SMILES for 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is CNC1C(=O)C(Cc2cnc(C)s2)CCc2ccsc21.CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCc2ccsc21.CNC1C(=O)N(CC2=CC=CC2(C)C)CCc2ccsc21.CNC1C(=O)N(Cc2ccno2)CCc2ccsc21.CNC1C(=O)N(Cc2ccoc2)CCc2ccsc21.CNC1C(=O)N(Cc2ccsc2)CCc2ccsc21.CNC1C(=O)N(Cc2cnc(C)o2)CCc2ccsc21.CNC1C(=O)N(Cc2cnco2)CCc2ccsc21.CNC1C(=O)N(Cc2cncs2)CCc2ccsc21.CNC1C(=O)N(Cc2ncc[nH]2)CCc2ccsc21.CNC1C(=O)N(Cc2ncco2)CCc2ccsc21.CNC1C(=O)N(Cc2nccs2)CCc2ccsc21.CNC1C(=O)N(Cc2nnco2)CCc2ccsc21.CNC1C(=O)N(Cc2nncs2)CCc2ccsc21.CNC1C(=O)N(c2ccccc2)CCc2ncsc21.CNC1C(=O)N(c2ccccn2)CCc2ncsc21.
What is the InChIKey of 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The InChIKey is AOAPZQRQBBEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H22N2OS.C15H18N2OS2.C14H17N3O2S.C14H15N3OS.C14H16N2O2S.C14H16N2OS2.C13H16N4OS.C13H14N4OS.3C13H15N3O2S.2C13H15N3OS2.C12H14N4O2S.C12H14N4OS2/c1-17(2)7-4-12(10-17)11-19-8-5-13-6-9-21-15(13)14(18-3)16(19)20;1-17(2)8-4-5-13(17)11-19-9-6-12-7-10-21-15(12)14(18-3)16(19)20;1-9-17-8-12(20-9)7-11-4-3-10-5-6-19-15(10)13(16-2)14(11)18;1-9-16-7-11(19-9)8-17-5-3-10-4-6-20-13(10)12(15-2)14(17)18;1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10;2*1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)8-10-15-4-5-16-10;1-14-11-12-9(16-8-19-12)5-7-17(13(11)18)10-4-2-3-6-15-10;1-14-11-12-9(3-7-19-12)2-5-16(13(11)17)8-10-15-4-6-18-10;1-14-11-12-9(4-7-19-12)3-6-16(13(11)17)8-10-2-5-15-18-10;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)7-10-6-15-8-18-10;1-14-11-12-9(3-6-19-12)2-5-16(13(11)17)8-10-15-4-7-18-10;1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-15-14-7-18-9;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-15-14-7-19-9/h4,6-7,9-10,14,18H,5,8,11H2,1-3H3;4-5,7-8,10,14,18H,6,9,11H2,1-3H3;5-6,8,11,13,16H,3-4,7H2,1-2H3;4,6-7,12,15H,3,5,8H2,1-2H3;2-6,9,12,15H,7-8H2,1H3;2*3-4,6-7,9,12,15H,2,5,8H2,1H3;3-5,7,11,14H,2,6,8H2,1H3,(H,15,16);2-4,6,8,11,14H,5,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;2,4-5,7,11,14H,3,6,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;2*3,5,7,10,13H,2,4,6H2,1H3.
What are the key properties of 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one has a molecular weight of 4587.21 g/mol, XLogP of 31.67, 46 rotatable bonds, 17 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,8-tetrahydrocyclohepta[b]thiophen-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3,4-thiadiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is sourced from PubChem (CID 157176261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).