6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

C138H155N29O11S12 — CID 158764316

IUPAC6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCc2ccsc21.CNC1C(=O)N(Cc2ccccn2)CCc2ccsc21.CNC1C(=O)N(Cc2cccnc2)CCc2ccsc21.CNC1C(=O)N(Cc2cccnn2)CCc2ccsc21.CNC1C(=O)N(Cc2ccncc2)CCc2ccsc21.CNC1C(=O)N(c2cc[nH]c2)CCc2ccsc21.CNC1C(=O)N(c2ccoc2)CCc2ccsc21.CNC1C(=O)N(c2ccsc2)CCc2ccsc21.CNC1C(=O)N(c2cnc[nH]2)CCc2ccsc21.CNC1C(=O)N(c2cscn2)CCc2ccsc21
InChIInChI=1S/C16H18N2OS.3C15H17N3OS.C14H16N4OS.C13H15N3OS.C13H14N2O2S.C13H14N2OS2.C12H14N4OS.C12H13N3OS2/c1-17-14-15-13(8-10-20-15)7-9-18(16(14)19)11-12-5-3-2-4-6-12;1-16-13-14-12(5-9-20-14)4-8-18(15(13)19)10-11-2-6-17-7-3-11;1-16-13-14-12(5-8-20-14)4-7-18(15(13)19)10-11-3-2-6-17-9-11;1-16-13-14-11(6-9-20-14)5-8-18(15(13)19)10-12-4-2-3-7-17-12;1-15-12-13-10(5-8-20-13)4-7-18(14(12)19)9-11-3-2-6-16-17-11;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)10-2-5-15-8-10;1-14-11-12-9(4-7-18-12)2-5-15(13(11)16)10-3-6-17-8-10;1-14-11-12-9(3-7-18-12)2-5-15(13(11)16)10-4-6-17-8-10;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)9-6-14-7-15-9;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9/h2-6,8,10,14,17H,7,9,11H2,1H3;2-3,5-7,9,13,16H,4,8,10H2,1H3;2-3,5-6,8-9,13,16H,4,7,10H2,1H3;2-4,6-7,9,13,16H,5,8,10H2,1H3;2-3,5-6,8,12,15H,4,7,9H2,1H3;2,4-5,7-8,11,14-15H,3,6H2,1H3;2*3-4,6-8,11,14H,2,5H2,1H3;3,5-7,10,13H,2,4H2,1H3,(H,14,15);3,5-7,10,13H,2,4H2,1H3
InChIKeyIPBIEQYAIROCDD-UHFFFAOYSA-N
MW2780.75 g/mol
LogP20.09
Rot. Bonds25

About 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (PubChem CID 158764316) has the molecular formula C138H155N29O11S12 and a molecular weight of 2780.75 g/mol. Its IUPAC name is 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
PubChem CID158764316
Molecular FormulaC138H155N29O11S12
Molecular Weight2780.75 g/mol
Exact Mass2777.91
IUPAC Name6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCc2ccsc21.CNC1C(=O)N(Cc2ccccn2)CCc2ccsc21.CNC1C(=O)N(Cc2cccnc2)CCc2ccsc21.CNC1C(=O)N(Cc2cccnn2)CCc2ccsc21.CNC1C(=O)N(Cc2ccncc2)CCc2ccsc21.CNC1C(=O)N(c2cc[nH]c2)CCc2ccsc21.CNC1C(=O)N(c2ccoc2)CCc2ccsc21.CNC1C(=O)N(c2ccsc2)CCc2ccsc21.CNC1C(=O)N(c2cnc[nH]2)CCc2ccsc21.CNC1C(=O)N(c2cscn2)CCc2ccsc21
InChIInChI=1S/C16H18N2OS.3C15H17N3OS.C14H16N4OS.C13H15N3OS.C13H14N2O2S.C13H14N2OS2.C12H14N4OS.C12H13N3OS2/c1-17-14-15-13(8-10-20-15)7-9-18(16(14)19)11-12-5-3-2-4-6-12;1-16-13-14-12(5-9-20-14)4-8-18(15(13)19)10-11-2-6-17-7-3-11;1-16-13-14-12(5-8-20-14)4-7-18(15(13)19)10-11-3-2-6-17-9-11;1-16-13-14-11(6-9-20-14)5-8-18(15(13)19)10-12-4-2-3-7-17-12;1-15-12-13-10(5-8-20-13)4-7-18(14(12)19)9-11-3-2-6-16-17-11;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)10-2-5-15-8-10;1-14-11-12-9(4-7-18-12)2-5-15(13(11)16)10-3-6-17-8-10;1-14-11-12-9(3-7-18-12)2-5-15(13(11)16)10-4-6-17-8-10;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)9-6-14-7-15-9;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9/h2-6,8,10,14,17H,7,9,11H2,1H3;2-3,5-7,9,13,16H,4,8,10H2,1H3;2-3,5-6,8-9,13,16H,4,7,10H2,1H3;2-4,6-7,9,13,16H,5,8,10H2,1H3;2-3,5-6,8,12,15H,4,7,9H2,1H3;2,4-5,7-8,11,14-15H,3,6H2,1H3;2*3-4,6-8,11,14H,2,5H2,1H3;3,5-7,10,13H,2,4H2,1H3,(H,14,15);3,5-7,10,13H,2,4H2,1H3
InChIKeyIPBIEQYAIROCDD-UHFFFAOYSA-N
XLogP20.09
TPSA458.35 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002780.75
LogP ≤ 520.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one with MolForge

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
CID 157120267
CID 157120267
CID 157140927
CID 157140927
1-Benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 157158870
CID 157171239
CID 157171239
CID 157176261
CID 157176261
CID 157184171
CID 157184171
6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-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-pyridin-3-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 157193890
1-Benzyl-5,5-dimethyl-3-(methylamino)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 157222159

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The IUPAC name of 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (CID 158764316) is 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.
What is the SMILES notation for 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The canonical SMILES for 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is CNC1C(=O)N(Cc2ccccc2)CCc2ccsc21.CNC1C(=O)N(Cc2ccccn2)CCc2ccsc21.CNC1C(=O)N(Cc2cccnc2)CCc2ccsc21.CNC1C(=O)N(Cc2cccnn2)CCc2ccsc21.CNC1C(=O)N(Cc2ccncc2)CCc2ccsc21.CNC1C(=O)N(c2cc[nH]c2)CCc2ccsc21.CNC1C(=O)N(c2ccoc2)CCc2ccsc21.CNC1C(=O)N(c2ccsc2)CCc2ccsc21.CNC1C(=O)N(c2cnc[nH]2)CCc2ccsc21.CNC1C(=O)N(c2cscn2)CCc2ccsc21.
What is the InChIKey of 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The InChIKey is IPBIEQYAIROCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS.3C15H17N3OS.C14H16N4OS.C13H15N3OS.C13H14N2O2S.C13H14N2OS2.C12H14N4OS.C12H13N3OS2/c1-17-14-15-13(8-10-20-15)7-9-18(16(14)19)11-12-5-3-2-4-6-12;1-16-13-14-12(5-9-20-14)4-8-18(15(13)19)10-11-2-6-17-7-3-11;1-16-13-14-12(5-8-20-14)4-7-18(15(13)19)10-11-3-2-6-17-9-11;1-16-13-14-11(6-9-20-14)5-8-18(15(13)19)10-12-4-2-3-7-17-12;1-15-12-13-10(5-8-20-13)4-7-18(14(12)19)9-11-3-2-6-16-17-11;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)10-2-5-15-8-10;1-14-11-12-9(4-7-18-12)2-5-15(13(11)16)10-3-6-17-8-10;1-14-11-12-9(3-7-18-12)2-5-15(13(11)16)10-4-6-17-8-10;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)9-6-14-7-15-9;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9/h2-6,8,10,14,17H,7,9,11H2,1H3;2-3,5-7,9,13,16H,4,8,10H2,1H3;2-3,5-6,8-9,13,16H,4,7,10H2,1H3;2-4,6-7,9,13,16H,5,8,10H2,1H3;2-3,5-6,8,12,15H,4,7,9H2,1H3;2,4-5,7-8,11,14-15H,3,6H2,1H3;2*3-4,6-8,11,14H,2,5H2,1H3;3,5-7,10,13H,2,4H2,1H3,(H,14,15);3,5-7,10,13H,2,4H2,1H3.
What are the key properties of 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one has a molecular weight of 2780.75 g/mol, XLogP of 20.09, 25 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridazin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(pyridin-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is sourced from PubChem (CID 158764316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).