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

C152H176N58O20S17 — CID 158147390

IUPAC6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
SMILESCCc1nc(N2CCc3ncsc3C(NC)C2=O)no1.CNC1C(=O)N(Cc2ccncn2)CCc2ncsc21.CNC1C(=O)N(Cc2cnccn2)CCc2ncsc21.CNC1C(=O)N(Cc2cocn2)CCc2ncsc21.CNC1C(=O)N(Cc2cscn2)CCc2ncsc21.CNC1C(=O)N(Cc2ncon2)CCc2ncsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ncsc21.CNC1C(=O)N(c2coc(C)n2)CCc2ncsc21.CNC1C(=O)N(c2cocn2)CCc2ncsc21.CNC1C(=O)N(c2csc(C)n2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ncsc21
InChIInChI=1S/2C13H15N5OS.C12H15N5O2S.2C12H14N4O2S.2C12H14N4OS2.C11H13N5O2S.2C11H13N5OS2.3C11H12N4O2S/c1-14-11-12-10(17-8-20-12)2-5-18(13(11)19)7-9-6-15-3-4-16-9;1-14-11-12-10(17-8-20-12)3-5-18(13(11)19)6-9-2-4-15-7-16-9;1-3-8-15-12(16-19-8)17-5-4-7-10(20-6-14-7)9(13-2)11(17)18;1-7-15-9(5-18-7)16-4-3-8-11(19-6-14-8)10(13-2)12(16)17;1-13-10-11-9(15-7-19-11)2-3-16(12(10)17)4-8-5-18-6-14-8;1-7-15-9(5-18-7)16-4-3-8-11(19-6-14-8)10(13-2)12(16)17;1-13-10-11-9(15-7-19-11)2-3-16(12(10)17)4-8-5-18-6-14-8;1-12-9-10-7(14-6-19-10)2-3-16(11(9)17)4-8-13-5-18-15-8;1-6-14-11(15-19-6)16-4-3-7-9(18-5-13-7)8(12-2)10(16)17;1-12-9-10-7(13-5-18-10)2-3-16(11(9)17)4-8-14-6-19-15-8;2*1-12-8-9-7(14-6-18-9)2-4-15(10(8)16)11-13-3-5-17-11;1-12-9-10-7(14-6-18-10)2-3-15(11(9)16)8-4-17-5-13-8/h3-4,6,8,11,14H,2,5,7H2,1H3;2,4,7-8,11,14H,3,5-6H2,1H3;6,9,13H,3-5H2,1-2H3;5-6,10,13H,3-4H2,1-2H3;5-7,10,13H,2-4H2,1H3;5-6,10,13H,3-4H2,1-2H3;5-7,10,13H,2-4H2,1H3;5-6,9,12H,2-4H2,1H3;5,8,12H,3-4H2,1-2H3;5-6,9,12H,2-4H2,1H3;2*3,5-6,8,12H,2,4H2,1H3;4-6,9,12H,2-3H2,1H3
InChIKeyFURKCUGADBRWTC-UHFFFAOYSA-N
MW3680.60 g/mol
LogP13.27
Rot. Bonds33

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

6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one (PubChem CID 158147390) has the molecular formula C152H176N58O20S17 and a molecular weight of 3680.60 g/mol. Its IUPAC name is 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
PubChem CID158147390
Molecular FormulaC152H176N58O20S17
Molecular Weight3680.60 g/mol
Exact Mass3676.98
IUPAC Name6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
SMILESCCc1nc(N2CCc3ncsc3C(NC)C2=O)no1.CNC1C(=O)N(Cc2ccncn2)CCc2ncsc21.CNC1C(=O)N(Cc2cnccn2)CCc2ncsc21.CNC1C(=O)N(Cc2cocn2)CCc2ncsc21.CNC1C(=O)N(Cc2cscn2)CCc2ncsc21.CNC1C(=O)N(Cc2ncon2)CCc2ncsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ncsc21.CNC1C(=O)N(c2coc(C)n2)CCc2ncsc21.CNC1C(=O)N(c2cocn2)CCc2ncsc21.CNC1C(=O)N(c2csc(C)n2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ncsc21
InChIInChI=1S/2C13H15N5OS.C12H15N5O2S.2C12H14N4O2S.2C12H14N4OS2.C11H13N5O2S.2C11H13N5OS2.3C11H12N4O2S/c1-14-11-12-10(17-8-20-12)2-5-18(13(11)19)7-9-6-15-3-4-16-9;1-14-11-12-10(17-8-20-12)3-5-18(13(11)19)6-9-2-4-15-7-16-9;1-3-8-15-12(16-19-8)17-5-4-7-10(20-6-14-7)9(13-2)11(17)18;1-7-15-9(5-18-7)16-4-3-8-11(19-6-14-8)10(13-2)12(16)17;1-13-10-11-9(15-7-19-11)2-3-16(12(10)17)4-8-5-18-6-14-8;1-7-15-9(5-18-7)16-4-3-8-11(19-6-14-8)10(13-2)12(16)17;1-13-10-11-9(15-7-19-11)2-3-16(12(10)17)4-8-5-18-6-14-8;1-12-9-10-7(14-6-19-10)2-3-16(11(9)17)4-8-13-5-18-15-8;1-6-14-11(15-19-6)16-4-3-7-9(18-5-13-7)8(12-2)10(16)17;1-12-9-10-7(13-5-18-10)2-3-16(11(9)17)4-8-14-6-19-15-8;2*1-12-8-9-7(14-6-18-9)2-4-15(10(8)16)11-13-3-5-17-11;1-12-9-10-7(14-6-18-10)2-3-15(11(9)16)8-4-17-5-13-8/h3-4,6,8,11,14H,2,5,7H2,1H3;2,4,7-8,11,14H,3,5-6H2,1H3;6,9,13H,3-5H2,1-2H3;5-6,10,13H,3-4H2,1-2H3;5-7,10,13H,2-4H2,1H3;5-6,10,13H,3-4H2,1-2H3;5-7,10,13H,2-4H2,1H3;5-6,9,12H,2-4H2,1H3;5,8,12H,3-4H2,1-2H3;5-6,9,12H,2-4H2,1H3;2*3,5-6,8,12H,2,4H2,1H3;4-6,9,12H,2-3H2,1H3
InChIKeyFURKCUGADBRWTC-UHFFFAOYSA-N
XLogP13.27
TPSA924.88 Ų
H-Bond Donors13
H-Bond Acceptors82
Rotatable Bonds33
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003680.60
LogP ≤ 513.27
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1082

Analyze 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one with MolForge

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What is the IUPAC name of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
The IUPAC name of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one (CID 158147390) is 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-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-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
The canonical SMILES for 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one is CCc1nc(N2CCc3ncsc3C(NC)C2=O)no1.CNC1C(=O)N(Cc2ccncn2)CCc2ncsc21.CNC1C(=O)N(Cc2cnccn2)CCc2ncsc21.CNC1C(=O)N(Cc2cocn2)CCc2ncsc21.CNC1C(=O)N(Cc2cscn2)CCc2ncsc21.CNC1C(=O)N(Cc2ncon2)CCc2ncsc21.CNC1C(=O)N(Cc2ncsn2)CCc2ncsc21.CNC1C(=O)N(c2coc(C)n2)CCc2ncsc21.CNC1C(=O)N(c2cocn2)CCc2ncsc21.CNC1C(=O)N(c2csc(C)n2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2ncco2)CCc2ncsc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ncsc21.
What is the InChIKey of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
The InChIKey is FURKCUGADBRWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N5OS.C12H15N5O2S.2C12H14N4O2S.2C12H14N4OS2.C11H13N5O2S.2C11H13N5OS2.3C11H12N4O2S/c1-14-11-12-10(17-8-20-12)2-5-18(13(11)19)7-9-6-15-3-4-16-9;1-14-11-12-10(17-8-20-12)3-5-18(13(11)19)6-9-2-4-15-7-16-9;1-3-8-15-12(16-19-8)17-5-4-7-10(20-6-14-7)9(13-2)11(17)18;1-7-15-9(5-18-7)16-4-3-8-11(19-6-14-8)10(13-2)12(16)17;1-13-10-11-9(15-7-19-11)2-3-16(12(10)17)4-8-5-18-6-14-8;1-7-15-9(5-18-7)16-4-3-8-11(19-6-14-8)10(13-2)12(16)17;1-13-10-11-9(15-7-19-11)2-3-16(12(10)17)4-8-5-18-6-14-8;1-12-9-10-7(14-6-19-10)2-3-16(11(9)17)4-8-13-5-18-15-8;1-6-14-11(15-19-6)16-4-3-7-9(18-5-13-7)8(12-2)10(16)17;1-12-9-10-7(13-5-18-10)2-3-16(11(9)17)4-8-14-6-19-15-8;2*1-12-8-9-7(14-6-18-9)2-4-15(10(8)16)11-13-3-5-17-11;1-12-9-10-7(14-6-18-10)2-3-15(11(9)16)8-4-17-5-13-8/h3-4,6,8,11,14H,2,5,7H2,1H3;2,4,7-8,11,14H,3,5-6H2,1H3;6,9,13H,3-5H2,1-2H3;5-6,10,13H,3-4H2,1-2H3;5-7,10,13H,2-4H2,1H3;5-6,10,13H,3-4H2,1-2H3;5-7,10,13H,2-4H2,1H3;5-6,9,12H,2-4H2,1H3;5,8,12H,3-4H2,1-2H3;5-6,9,12H,2-4H2,1H3;2*3,5-6,8,12H,2,4H2,1H3;4-6,9,12H,2-3H2,1H3.
What are the key properties of 6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one has a molecular weight of 3680.60 g/mol, XLogP of 13.27, 33 rotatable bonds, 13 hydrogen bond donors, and 82 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-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-oxadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;bis(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrazin-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(pyrimidin-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 158147390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).