6-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

C161H184N44O22S17 — CID 157173757

IUPAC6-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCCc1nc(N2CCc3ccsc3C(NC)C2=O)no1.CNC1C(=O)N(Cc2cocn2)CCc2ccsc21.CNC1C(=O)N(Cc2cscn2)CCc2ccsc21.CNC1C(=O)N(Cc2ncon2)CCc2ccsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ccsc21.CNC1C(=O)N(c2coc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2cocn2)CCc2ccsc21.CNC1C(=O)N(c2csc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2noc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ccsc21
InChIInChI=1S/C13H16N4O2S.2C13H15N3O2S.2C13H15N3OS2.2C12H14N4O2S.2C12H14N4OS2.4C12H13N3O2S/c1-3-9-15-13(16-19-9)17-6-4-8-5-7-20-11(8)10(14-2)12(17)18;1-8-15-10(7-18-8)16-5-3-9-4-6-19-12(9)11(14-2)13(16)17;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-8-15-10(7-19-8)16-5-3-9-4-6-18-12(9)11(14-2)13(16)17;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-7-14-12(15-18-7)16-5-3-8-4-6-19-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-14-7-18-15-9;1-7-14-12(15-19-7)16-5-3-8-4-6-18-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-14-7-19-15-9;3*1-13-9-10-8(3-7-18-10)2-5-15(11(9)16)12-14-4-6-17-12;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9/h5,7,10,14H,3-4,6H2,1-2H3;4,6-7,11,14H,3,5H2,1-2H3;3,5,7-8,11,14H,2,4,6H2,1H3;4,6-7,11,14H,3,5H2,1-2H3;3,5,7-8,11,14H,2,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5,7,10,13H,2,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5,7,10,13H,2,4,6H2,1H3;3*3-4,6-7,9,13H,2,5H2,1H3;3,5-7,10,13H,2,4H2,1H3
InChIKeyANTQIGFFYNXGHE-UHFFFAOYSA-N
MW3632.67 g/mol
LogP21.24
Rot. Bonds31

About 6-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (PubChem CID 157173757) has the molecular formula C161H184N44O22S17 and a molecular weight of 3632.67 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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
PubChem CID157173757
Molecular FormulaC161H184N44O22S17
Molecular Weight3632.67 g/mol
Exact Mass3628.99
IUPAC Name6-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCCc1nc(N2CCc3ccsc3C(NC)C2=O)no1.CNC1C(=O)N(Cc2cocn2)CCc2ccsc21.CNC1C(=O)N(Cc2cscn2)CCc2ccsc21.CNC1C(=O)N(Cc2ncon2)CCc2ccsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ccsc21.CNC1C(=O)N(c2coc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2cocn2)CCc2ccsc21.CNC1C(=O)N(c2csc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2noc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ccsc21
InChIInChI=1S/C13H16N4O2S.2C13H15N3O2S.2C13H15N3OS2.2C12H14N4O2S.2C12H14N4OS2.4C12H13N3O2S/c1-3-9-15-13(16-19-9)17-6-4-8-5-7-20-11(8)10(14-2)12(17)18;1-8-15-10(7-18-8)16-5-3-9-4-6-19-12(9)11(14-2)13(16)17;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-8-15-10(7-19-8)16-5-3-9-4-6-18-12(9)11(14-2)13(16)17;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-7-14-12(15-18-7)16-5-3-8-4-6-19-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-14-7-18-15-9;1-7-14-12(15-19-7)16-5-3-8-4-6-18-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-14-7-19-15-9;3*1-13-9-10-8(3-7-18-10)2-5-15(11(9)16)12-14-4-6-17-12;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9/h5,7,10,14H,3-4,6H2,1-2H3;4,6-7,11,14H,3,5H2,1-2H3;3,5,7-8,11,14H,2,4,6H2,1H3;4,6-7,11,14H,3,5H2,1-2H3;3,5,7-8,11,14H,2,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5,7,10,13H,2,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5,7,10,13H,2,4,6H2,1H3;3*3-4,6-7,9,13H,2,5H2,1H3;3,5-7,10,13H,2,4H2,1H3
InChIKeyANTQIGFFYNXGHE-UHFFFAOYSA-N
XLogP21.24
TPSA770.70 Ų
H-Bond Donors13
H-Bond Acceptors70
Rotatable Bonds31
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003632.67
LogP ≤ 521.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1070

Analyze 6-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-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-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (CID 157173757) is 6-(5-ethyl-1,2,4-oxadiazol-3-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;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is CCc1nc(N2CCc3ccsc3C(NC)C2=O)no1.CNC1C(=O)N(Cc2cocn2)CCc2ccsc21.CNC1C(=O)N(Cc2cscn2)CCc2ccsc21.CNC1C(=O)N(Cc2ncon2)CCc2ccsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ccsc21.CNC1C(=O)N(c2coc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2cocn2)CCc2ccsc21.CNC1C(=O)N(c2csc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2ncco2)CCc2ccsc21.CNC1C(=O)N(c2noc(C)n2)CCc2ccsc21.CNC1C(=O)N(c2nsc(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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The InChIKey is ANTQIGFFYNXGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S.2C13H15N3O2S.2C13H15N3OS2.2C12H14N4O2S.2C12H14N4OS2.4C12H13N3O2S/c1-3-9-15-13(16-19-9)17-6-4-8-5-7-20-11(8)10(14-2)12(17)18;1-8-15-10(7-18-8)16-5-3-9-4-6-19-12(9)11(14-2)13(16)17;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-8-15-10(7-19-8)16-5-3-9-4-6-18-12(9)11(14-2)13(16)17;1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-7-14-12(15-18-7)16-5-3-8-4-6-19-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-14-7-18-15-9;1-7-14-12(15-19-7)16-5-3-8-4-6-18-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-14-7-19-15-9;3*1-13-9-10-8(3-7-18-10)2-5-15(11(9)16)12-14-4-6-17-12;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9/h5,7,10,14H,3-4,6H2,1-2H3;4,6-7,11,14H,3,5H2,1-2H3;3,5,7-8,11,14H,2,4,6H2,1H3;4,6-7,11,14H,3,5H2,1-2H3;3,5,7-8,11,14H,2,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5,7,10,13H,2,4,6H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5,7,10,13H,2,4,6H2,1H3;3*3-4,6-7,9,13H,2,5H2,1H3;3,5-7,10,13H,2,4H2,1H3.
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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one has a molecular weight of 3632.67 g/mol, XLogP of 21.24, 31 rotatable bonds, 13 hydrogen bond donors, and 70 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;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is sourced from PubChem (CID 157173757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).