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

C123H134N38O12S12 — CID 157193890

IUPAC6-(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
SMILESCNC1C(=O)N(c2ccc[nH]2)CCc2ncsc21.CNC1C(=O)N(c2ccccc2)CCc2ncsc21.CNC1C(=O)N(c2ccccn2)CCc2ncsc21.CNC1C(=O)N(c2cccnc2)CCc2ncsc21.CNC1C(=O)N(c2cccnn2)CCc2ncsc21.CNC1C(=O)N(c2ccco2)CCc2ncsc21.CNC1C(=O)N(c2cccs2)CCc2ncsc21.CNC1C(=O)N(c2ccncc2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2nccs2)CCc2ncsc21
InChIInChI=1S/C14H15N3OS.3C13H14N4OS.C12H13N5OS.C12H14N4OS.C12H13N3O2S.C12H13N3OS2.C11H12N4O2S.C11H12N4OS2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10;1-14-11-12-10(16-8-19-12)4-7-17(13(11)18)9-2-5-15-6-3-9;1-14-11-12-10(16-8-19-12)4-6-17(13(11)18)9-3-2-5-15-7-9;1-14-11-12-9(16-8-19-12)5-7-17(13(11)18)10-4-2-3-6-15-10;1-13-10-11-8(14-7-19-11)4-6-17(12(10)18)9-3-2-5-15-16-9;1-13-10-11-8(15-7-18-11)4-6-16(12(10)17)9-3-2-5-14-9;2*1-13-10-11-8(14-7-18-11)4-5-15(12(10)16)9-3-2-6-17-9;2*1-12-8-9-7(14-6-18-9)2-4-15(10(8)16)11-13-3-5-17-11/h2-6,9,12,15H,7-8H2,1H3;2-3,5-6,8,11,14H,4,7H2,1H3;2-3,5,7-8,11,14H,4,6H2,1H3;2-4,6,8,11,14H,5,7H2,1H3;2-3,5,7,10,13H,4,6H2,1H3;2-3,5,7,10,13-14H,4,6H2,1H3;2*2-3,6-7,10,13H,4-5H2,1H3;2*3,5-6,8,12H,2,4H2,1H3
InChIKeyAQABYYOXGUHBOS-UHFFFAOYSA-N
MW2721.48 g/mol
LogP14.33
Rot. Bonds20

About 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

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 (PubChem CID 157193890) has the molecular formula C123H134N38O12S12 and a molecular weight of 2721.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157193890
Molecular FormulaC123H134N38O12S12
Molecular Weight2721.48 g/mol
Exact Mass2718.77
IUPAC Name6-(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
SMILESCNC1C(=O)N(c2ccc[nH]2)CCc2ncsc21.CNC1C(=O)N(c2ccccc2)CCc2ncsc21.CNC1C(=O)N(c2ccccn2)CCc2ncsc21.CNC1C(=O)N(c2cccnc2)CCc2ncsc21.CNC1C(=O)N(c2cccnn2)CCc2ncsc21.CNC1C(=O)N(c2ccco2)CCc2ncsc21.CNC1C(=O)N(c2cccs2)CCc2ncsc21.CNC1C(=O)N(c2ccncc2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2nccs2)CCc2ncsc21
InChIInChI=1S/C14H15N3OS.3C13H14N4OS.C12H13N5OS.C12H14N4OS.C12H13N3O2S.C12H13N3OS2.C11H12N4O2S.C11H12N4OS2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10;1-14-11-12-10(16-8-19-12)4-7-17(13(11)18)9-2-5-15-6-3-9;1-14-11-12-10(16-8-19-12)4-6-17(13(11)18)9-3-2-5-15-7-9;1-14-11-12-9(16-8-19-12)5-7-17(13(11)18)10-4-2-3-6-15-10;1-13-10-11-8(14-7-19-11)4-6-17(12(10)18)9-3-2-5-15-16-9;1-13-10-11-8(15-7-18-11)4-6-16(12(10)17)9-3-2-5-14-9;2*1-13-10-11-8(14-7-18-11)4-5-15(12(10)16)9-3-2-6-17-9;2*1-12-8-9-7(14-6-18-9)2-4-15(10(8)16)11-13-3-5-17-11/h2-6,9,12,15H,7-8H2,1H3;2-3,5-6,8,11,14H,4,7H2,1H3;2-3,5,7-8,11,14H,4,6H2,1H3;2-4,6,8,11,14H,5,7H2,1H3;2-3,5,7,10,13H,4,6H2,1H3;2-3,5,7,10,13-14H,4,6H2,1H3;2*2-3,6-7,10,13H,4-5H2,1H3;2*3,5-6,8,12H,2,4H2,1H3
InChIKeyAQABYYOXGUHBOS-UHFFFAOYSA-N
XLogP14.33
TPSA584.60 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds20
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002721.48
LogP ≤ 514.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Analyze 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 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
CID 157120267
CID 157120267
CID 157140927
CID 157140927
CID 157171239
CID 157171239
CID 157184171
CID 157184171
3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one
CID 157237857
furan;2-methylidene-1H-pyridine;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);bis(1H-pyrrole);1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157252556
1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157319887
7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 157349429
5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 157370641

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1C(=O)N(c2ccc[nH]2)CCc2ncsc21.CNC1C(=O)N(c2ccccc2)CCc2ncsc21.CNC1C(=O)N(c2ccccn2)CCc2ncsc21.CNC1C(=O)N(c2cccnc2)CCc2ncsc21.CNC1C(=O)N(c2cccnn2)CCc2ncsc21.CNC1C(=O)N(c2ccco2)CCc2ncsc21.CNC1C(=O)N(c2cccs2)CCc2ncsc21.CNC1C(=O)N(c2ccncc2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2nccs2)CCc2ncsc21.
What is the InChIKey of 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?
The InChIKey is AQABYYOXGUHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS.3C13H14N4OS.C12H13N5OS.C12H14N4OS.C12H13N3O2S.C12H13N3OS2.C11H12N4O2S.C11H12N4OS2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10;1-14-11-12-10(16-8-19-12)4-7-17(13(11)18)9-2-5-15-6-3-9;1-14-11-12-10(16-8-19-12)4-6-17(13(11)18)9-3-2-5-15-7-9;1-14-11-12-9(16-8-19-12)5-7-17(13(11)18)10-4-2-3-6-15-10;1-13-10-11-8(14-7-19-11)4-6-17(12(10)18)9-3-2-5-15-16-9;1-13-10-11-8(15-7-18-11)4-6-16(12(10)17)9-3-2-5-14-9;2*1-13-10-11-8(14-7-18-11)4-5-15(12(10)16)9-3-2-6-17-9;2*1-12-8-9-7(14-6-18-9)2-4-15(10(8)16)11-13-3-5-17-11/h2-6,9,12,15H,7-8H2,1H3;2-3,5-6,8,11,14H,4,7H2,1H3;2-3,5,7-8,11,14H,4,6H2,1H3;2-4,6,8,11,14H,5,7H2,1H3;2-3,5,7,10,13H,4,6H2,1H3;2-3,5,7,10,13-14H,4,6H2,1H3;2*2-3,6-7,10,13H,4-5H2,1H3;2*3,5-6,8,12H,2,4H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2721.48 g/mol, XLogP of 14.33, 20 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157193890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).