6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)

C163H254N40O21S6 — CID 159641278

IUPAC6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)
SMILESCCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCC(C)C(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H21N3OS.C12H20N4O2.C12H19N3O2.C12H19N3O.2C12H18N2O2.2C12H18N2OS.C11H18N4OS.3C11H17N3O2.2C11H17N3OS/c1-8-5-6-11(14-4)13(17)16(9(8)2)12-7-18-10(3)15-12;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;4*1-9-5-3-6-10(13-2)12(15)14(9)11-7-4-8-16-11;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;5*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h7-9,11,14H,5-6H2,1-4H3;8-9,13H,4-7H2,1-3H3;7-8,10,13H,4-6H2,1-3H3;4,7-10,13-14H,3,5-6H2,1-2H3;4*4,7-10,13H,3,5-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;5*6-9,12H,3-5H2,1-2H3
InChIKeyMQJQCXDNQAQWEL-UHFFFAOYSA-N
MW3302.49 g/mol
LogP22.45
Rot. Bonds29

About 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)

6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) (PubChem CID 159641278) has the molecular formula C163H254N40O21S6 and a molecular weight of 3302.49 g/mol. Its IUPAC name is 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one).

Molecular Properties

Compound Name6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)
PubChem CID159641278
Molecular FormulaC163H254N40O21S6
Molecular Weight3302.49 g/mol
Exact Mass3299.84
IUPAC Name6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)
SMILESCCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCC(C)C(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H21N3OS.C12H20N4O2.C12H19N3O2.C12H19N3O.2C12H18N2O2.2C12H18N2OS.C11H18N4OS.3C11H17N3O2.2C11H17N3OS/c1-8-5-6-11(14-4)13(17)16(9(8)2)12-7-18-10(3)15-12;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;4*1-9-5-3-6-10(13-2)12(15)14(9)11-7-4-8-16-11;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;5*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h7-9,11,14H,5-6H2,1-4H3;8-9,13H,4-7H2,1-3H3;7-8,10,13H,4-6H2,1-3H3;4,7-10,13-14H,3,5-6H2,1-2H3;4*4,7-10,13H,3,5-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;5*6-9,12H,3-5H2,1-2H3
InChIKeyMQJQCXDNQAQWEL-UHFFFAOYSA-N
XLogP22.45
TPSA702.32 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds29
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003302.49
LogP ≤ 522.45
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Analyze 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) with MolForge

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Launch Full Analysis

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-(1,3-oxazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one
CID 91002754
6,6-Dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157076101
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157098621
4,4-Dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 157167415
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;1-(furan-2-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-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
CID 157211694
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)
CID 157256111
1-(furan-3-ylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;N-[2-[3-(methylamino)-2-oxoazepan-1-yl]ethanimidoyl]formamide;3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 157272678
4-(furan-2-yl)-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-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157273010
CID 157383407
CID 157383407
6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 157418303
CID 157436723
CID 157436723
CID 157440992
CID 157440992

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?
The IUPAC name of 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) (CID 159641278) is 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one).
What is the SMILES notation for 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?
The canonical SMILES for 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) is CCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCC(C)C(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2nsc(C)n2)C1=O.
What is the InChIKey of 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?
The InChIKey is MQJQCXDNQAQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.C12H20N4O2.C12H19N3O2.C12H19N3O.2C12H18N2O2.2C12H18N2OS.C11H18N4OS.3C11H17N3O2.2C11H17N3OS/c1-8-5-6-11(14-4)13(17)16(9(8)2)12-7-18-10(3)15-12;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;4*1-9-5-3-6-10(13-2)12(15)14(9)11-7-4-8-16-11;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;5*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h7-9,11,14H,5-6H2,1-4H3;8-9,13H,4-7H2,1-3H3;7-8,10,13H,4-6H2,1-3H3;4,7-10,13-14H,3,5-6H2,1-2H3;4*4,7-10,13H,3,5-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;5*6-9,12H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?
6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) has a molecular weight of 3302.49 g/mol, XLogP of 22.45, 29 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) is sourced from PubChem (CID 159641278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).