6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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

C177H201N43O16S16 — CID 158254711

IUPAC6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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
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(Cc2ccncn2)CCc2ccsc21.CNC1C(=O)N(Cc2cnccn2)CCc2ccsc21.CNC1C(=O)N(Cc2cocn2)CCc2ccsc21.CNC1C(=O)N(Cc2cscn2)CCc2ccsc21.CNC1C(=O)N(Cc2ncon2)CCc2ccsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ccsc21.CNC1C(=O)N(c2cocn2)CCc2ccsc21.CNC1C(=O)N(c2cscn2)CCc2ccsc21
InChIInChI=1S/C16H18N2OS.3C15H17N3OS.3C14H16N4OS.C13H15N3O2S.C13H15N3OS2.C12H14N4O2S.C12H14N4OS2.C12H13N3O2S.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(3-7-20-13)2-6-18(14(12)19)9-11-8-16-4-5-17-11;1-15-12-13-10(4-7-20-13)3-6-18(14(12)19)8-11-2-5-16-9-17-11;1-15-12-13-10(5-8-20-13)4-7-18(14(12)19)9-11-3-2-6-16-17-11;2*1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-14-7-18-15-9;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-14-7-19-15-9;2*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;3-5,7-8,12,15H,2,6,9H2,1H3;2,4-5,7,9,12,15H,3,6,8H2,1H3;2-3,5-6,8,12,15H,4,7,9H2,1H3;2*3,5,7-8,11,14H,2,4,6H2,1H3;2*3,5,7,10,13H,2,4,6H2,1H3;2*3,5-7,10,13H,2,4H2,1H3
InChIKeyGHDHISZZJZXYNU-UHFFFAOYSA-N
MW3699.91 g/mol
LogP22.40
Rot. Bonds37

About 6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 158254711) has the molecular formula C177H201N43O16S16 and a molecular weight of 3699.91 g/mol. Its IUPAC name is 6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 CID158254711
Molecular FormulaC177H201N43O16S16
Molecular Weight3699.91 g/mol
Exact Mass3696.18
IUPAC Name6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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
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(Cc2ccncn2)CCc2ccsc21.CNC1C(=O)N(Cc2cnccn2)CCc2ccsc21.CNC1C(=O)N(Cc2cocn2)CCc2ccsc21.CNC1C(=O)N(Cc2cscn2)CCc2ccsc21.CNC1C(=O)N(Cc2ncon2)CCc2ccsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ccsc21.CNC1C(=O)N(c2cocn2)CCc2ccsc21.CNC1C(=O)N(c2cscn2)CCc2ccsc21
InChIInChI=1S/C16H18N2OS.3C15H17N3OS.3C14H16N4OS.C13H15N3O2S.C13H15N3OS2.C12H14N4O2S.C12H14N4OS2.C12H13N3O2S.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(3-7-20-13)2-6-18(14(12)19)9-11-8-16-4-5-17-11;1-15-12-13-10(4-7-20-13)3-6-18(14(12)19)8-11-2-5-16-9-17-11;1-15-12-13-10(5-8-20-13)4-7-18(14(12)19)9-11-3-2-6-16-17-11;2*1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-14-7-18-15-9;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-14-7-19-15-9;2*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;3-5,7-8,12,15H,2,6,9H2,1H3;2,4-5,7,9,12,15H,3,6,8H2,1H3;2-3,5-6,8,12,15H,4,7,9H2,1H3;2*3,5,7-8,11,14H,2,4,6H2,1H3;2*3,5,7,10,13H,2,4,6H2,1H3;2*3,5-7,10,13H,2,4H2,1H3
InChIKeyGHDHISZZJZXYNU-UHFFFAOYSA-N
XLogP22.40
TPSA678.97 Ų
H-Bond Donors13
H-Bond Acceptors62
Rotatable Bonds37
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003699.91
LogP ≤ 522.40
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1062

Analyze 6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 158254711) is 6-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 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(Cc2ccncn2)CCc2ccsc21.CNC1C(=O)N(Cc2cnccn2)CCc2ccsc21.CNC1C(=O)N(Cc2cocn2)CCc2ccsc21.CNC1C(=O)N(Cc2cscn2)CCc2ccsc21.CNC1C(=O)N(Cc2ncon2)CCc2ccsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ccsc21.CNC1C(=O)N(c2cocn2)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;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 GHDHISZZJZXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS.3C15H17N3OS.3C14H16N4OS.C13H15N3O2S.C13H15N3OS2.C12H14N4O2S.C12H14N4OS2.C12H13N3O2S.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(3-7-20-13)2-6-18(14(12)19)9-11-8-16-4-5-17-11;1-15-12-13-10(4-7-20-13)3-6-18(14(12)19)8-11-2-5-16-9-17-11;1-15-12-13-10(5-8-20-13)4-7-18(14(12)19)9-11-3-2-6-16-17-11;2*1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10;1-13-10-11-8(3-5-19-11)2-4-16(12(10)17)6-9-14-7-18-15-9;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-14-7-19-15-9;2*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;3-5,7-8,12,15H,2,6,9H2,1H3;2,4-5,7,9,12,15H,3,6,8H2,1H3;2-3,5-6,8,12,15H,4,7,9H2,1H3;2*3,5,7-8,11,14H,2,4,6H2,1H3;2*3,5,7,10,13H,2,4,6H2,1H3;2*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;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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-benzyl-8-(methylamino)-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;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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 3699.91 g/mol, XLogP of 22.40, 37 rotatable bonds, 13 hydrogen bond donors, and 62 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;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-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-(pyrazin-2-ylmethyl)-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-(pyrimidin-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-yl)-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 158254711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).