6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

C181H199N45O19S16 — CID 157120267

IUPAC6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCCc1nc(N2CCc3ccsc3C(NC)C2=O)no1.CNC1C(=O)N(c2ccc[nH]2)CCc2ccsc21.CNC1C(=O)N(c2ccccn2)CCc2ccsc21.CNC1C(=O)N(c2cccnc2)CCc2ccsc21.CNC1C(=O)N(c2cccnn2)CCc2ccsc21.CNC1C(=O)N(c2ccco2)CCc2ccsc21.CNC1C(=O)N(c2cccs2)CCc2ccsc21.CNC1C(=O)N(c2ccncc2)CCc2ccsc21.CNC1C(=O)N(c2ccncn2)CCc2ccsc21.CNC1C(=O)N(c2cnccn2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2nccs2)CCc2ccsc21.CNC1C(=O)N(c2noc(C)n2)CCc2ccsc21
InChIInChI=1S/3C14H15N3OS.C13H16N4O2S.3C13H14N4OS.C13H15N3OS.C13H14N2O2S.C13H14N2OS2.C12H14N4O2S.2C12H13N3O2S.C12H13N3OS2/c1-15-12-13-10(5-9-19-13)4-8-17(14(12)18)11-2-6-16-7-3-11;1-15-12-13-10(5-8-19-13)4-7-17(14(12)18)11-3-2-6-16-9-11;1-15-12-13-10(6-9-19-13)5-8-17(14(12)18)11-4-2-3-7-16-11;1-3-9-15-13(16-19-9)17-6-4-8-5-7-20-11(8)10(14-2)12(17)18;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)10-8-15-4-5-16-10;1-14-11-12-9(4-7-19-12)3-6-17(13(11)18)10-2-5-15-8-16-10;1-14-11-12-9(5-8-19-12)4-7-17(13(11)18)10-3-2-6-15-16-10;1-14-11-12-9(5-8-18-12)4-7-16(13(11)17)10-3-2-6-15-10;2*1-14-11-12-9(5-8-18-12)4-6-15(13(11)16)10-3-2-7-17-10;1-7-14-12(15-18-7)16-5-3-8-4-6-19-10(8)9(13-2)11(16)17;2*1-13-9-10-8(3-7-18-10)2-5-15(11(9)16)12-14-4-6-17-12;1-13-9-10-8(3-6-17-10)2-5-15(11(9)16)12-14-4-7-18-12/h2-3,5-7,9,12,15H,4,8H2,1H3;2-3,5-6,8-9,12,15H,4,7H2,1H3;2-4,6-7,9,12,15H,5,8H2,1H3;5,7,10,14H,3-4,6H2,1-2H3;3-5,7-8,11,14H,2,6H2,1H3;2,4-5,7-8,11,14H,3,6H2,1H3;2-3,5-6,8,11,14H,4,7H2,1H3;2-3,5-6,8,11,14-15H,4,7H2,1H3;2*2-3,5,7-8,11,14H,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3*3-4,6-7,9,13H,2,5H2,1H3
InChIKeyAHWRVKWVYPFLGD-UHFFFAOYSA-N
MW3821.95 g/mol
LogP24.98
Rot. Bonds29

About 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (PubChem CID 157120267) has the molecular formula C181H199N45O19S16 and a molecular weight of 3821.95 g/mol. Its IUPAC name is 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
PubChem CID157120267
Molecular FormulaC181H199N45O19S16
Molecular Weight3821.95 g/mol
Exact Mass3818.15
IUPAC Name6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCCc1nc(N2CCc3ccsc3C(NC)C2=O)no1.CNC1C(=O)N(c2ccc[nH]2)CCc2ccsc21.CNC1C(=O)N(c2ccccn2)CCc2ccsc21.CNC1C(=O)N(c2cccnc2)CCc2ccsc21.CNC1C(=O)N(c2cccnn2)CCc2ccsc21.CNC1C(=O)N(c2ccco2)CCc2ccsc21.CNC1C(=O)N(c2cccs2)CCc2ccsc21.CNC1C(=O)N(c2ccncc2)CCc2ccsc21.CNC1C(=O)N(c2ccncn2)CCc2ccsc21.CNC1C(=O)N(c2cnccn2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2nccs2)CCc2ccsc21.CNC1C(=O)N(c2noc(C)n2)CCc2ccsc21
InChIInChI=1S/3C14H15N3OS.C13H16N4O2S.3C13H14N4OS.C13H15N3OS.C13H14N2O2S.C13H14N2OS2.C12H14N4O2S.2C12H13N3O2S.C12H13N3OS2/c1-15-12-13-10(5-9-19-13)4-8-17(14(12)18)11-2-6-16-7-3-11;1-15-12-13-10(5-8-19-13)4-7-17(14(12)18)11-3-2-6-16-9-11;1-15-12-13-10(6-9-19-13)5-8-17(14(12)18)11-4-2-3-7-16-11;1-3-9-15-13(16-19-9)17-6-4-8-5-7-20-11(8)10(14-2)12(17)18;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)10-8-15-4-5-16-10;1-14-11-12-9(4-7-19-12)3-6-17(13(11)18)10-2-5-15-8-16-10;1-14-11-12-9(5-8-19-12)4-7-17(13(11)18)10-3-2-6-15-16-10;1-14-11-12-9(5-8-18-12)4-7-16(13(11)17)10-3-2-6-15-10;2*1-14-11-12-9(5-8-18-12)4-6-15(13(11)16)10-3-2-7-17-10;1-7-14-12(15-18-7)16-5-3-8-4-6-19-10(8)9(13-2)11(16)17;2*1-13-9-10-8(3-7-18-10)2-5-15(11(9)16)12-14-4-6-17-12;1-13-9-10-8(3-6-17-10)2-5-15(11(9)16)12-14-4-7-18-12/h2-3,5-7,9,12,15H,4,8H2,1H3;2-3,5-6,8-9,12,15H,4,7H2,1H3;2-4,6-7,9,12,15H,5,8H2,1H3;5,7,10,14H,3-4,6H2,1-2H3;3-5,7-8,11,14H,2,6H2,1H3;2,4-5,7-8,11,14H,3,6H2,1H3;2-3,5-6,8,11,14H,4,7H2,1H3;2-3,5-6,8,11,14-15H,4,7H2,1H3;2*2-3,5,7-8,11,14H,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3*3-4,6-7,9,13H,2,5H2,1H3
InChIKeyAHWRVKWVYPFLGD-UHFFFAOYSA-N
XLogP24.98
TPSA740.49 Ų
H-Bond Donors15
H-Bond Acceptors65
Rotatable Bonds29
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003821.95
LogP ≤ 524.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1065

Analyze 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-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-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The IUPAC name of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (CID 157120267) is 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.
What is the SMILES notation for 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The canonical SMILES for 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is CCc1nc(N2CCc3ccsc3C(NC)C2=O)no1.CNC1C(=O)N(c2ccc[nH]2)CCc2ccsc21.CNC1C(=O)N(c2ccccn2)CCc2ccsc21.CNC1C(=O)N(c2cccnc2)CCc2ccsc21.CNC1C(=O)N(c2cccnn2)CCc2ccsc21.CNC1C(=O)N(c2ccco2)CCc2ccsc21.CNC1C(=O)N(c2cccs2)CCc2ccsc21.CNC1C(=O)N(c2ccncc2)CCc2ccsc21.CNC1C(=O)N(c2ccncn2)CCc2ccsc21.CNC1C(=O)N(c2cnccn2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2nccs2)CCc2ccsc21.CNC1C(=O)N(c2noc(C)n2)CCc2ccsc21.
What is the InChIKey of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The InChIKey is AHWRVKWVYPFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H15N3OS.C13H16N4O2S.3C13H14N4OS.C13H15N3OS.C13H14N2O2S.C13H14N2OS2.C12H14N4O2S.2C12H13N3O2S.C12H13N3OS2/c1-15-12-13-10(5-9-19-13)4-8-17(14(12)18)11-2-6-16-7-3-11;1-15-12-13-10(5-8-19-13)4-7-17(14(12)18)11-3-2-6-16-9-11;1-15-12-13-10(6-9-19-13)5-8-17(14(12)18)11-4-2-3-7-16-11;1-3-9-15-13(16-19-9)17-6-4-8-5-7-20-11(8)10(14-2)12(17)18;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)10-8-15-4-5-16-10;1-14-11-12-9(4-7-19-12)3-6-17(13(11)18)10-2-5-15-8-16-10;1-14-11-12-9(5-8-19-12)4-7-17(13(11)18)10-3-2-6-15-16-10;1-14-11-12-9(5-8-18-12)4-7-16(13(11)17)10-3-2-6-15-10;2*1-14-11-12-9(5-8-18-12)4-6-15(13(11)16)10-3-2-7-17-10;1-7-14-12(15-18-7)16-5-3-8-4-6-19-10(8)9(13-2)11(16)17;2*1-13-9-10-8(3-7-18-10)2-5-15(11(9)16)12-14-4-6-17-12;1-13-9-10-8(3-6-17-10)2-5-15(11(9)16)12-14-4-7-18-12/h2-3,5-7,9,12,15H,4,8H2,1H3;2-3,5-6,8-9,12,15H,4,7H2,1H3;2-4,6-7,9,12,15H,5,8H2,1H3;5,7,10,14H,3-4,6H2,1-2H3;3-5,7-8,11,14H,2,6H2,1H3;2,4-5,7-8,11,14H,3,6H2,1H3;2-3,5-6,8,11,14H,4,7H2,1H3;2-3,5-6,8,11,14-15H,4,7H2,1H3;2*2-3,5,7-8,11,14H,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3*3-4,6-7,9,13H,2,5H2,1H3.
What are the key properties of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one has a molecular weight of 3821.95 g/mol, XLogP of 24.98, 29 rotatable bonds, 15 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is sourced from PubChem (CID 157120267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).