N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

C121H109F6N31O15S10 — CID 159814298

IUPACN-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(C)=O)cc1C(F)(F)F.COc1cc(C)c(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(=O)(=O)N(C)C)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c3nc(Nc4ccccc4OC(C)(F)F)sc3ccc21
InChIInChI=1S/C19H15F3N4O2S.C18H19N5O3S2.C18H17N5O2S.C17H14F2N4OS.C17H16N4O3S2.C16H13FN4OS.C16H15N5O3S2/c1-9(27)10-6-11(19(20,21)22)17(28-3)12(7-10)24-18-25-16-14(29-18)5-4-13-15(16)23-8-26(13)2;1-22(2)28(24,25)11-5-7-14(26-4)12(9-11)20-18-21-17-15(27-18)8-6-13-16(17)19-10-23(13)3;1-9-6-13(25-3)11(7-10(9)17(19)24)21-18-22-16-14(26-18)5-4-12-15(16)20-8-23(12)2;1-17(18,19)24-12-6-4-3-5-10(12)21-16-22-15-13(25-16)8-7-11-14(15)20-9-23(11)2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(25-14)19-11-8-10(26(3,22)23)4-6-13(11)24-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(25-13)19-10-7-9(26(17,22)23)3-5-12(10)24-2/h4-8H,1-3H3,(H,24,25);5-10H,1-4H3,(H,20,21);4-8H,1-3H3,(H2,19,24)(H,21,22);3-9H,1-2H3,(H,21,22);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20)(H2,17,22,23)
InChIKeyNLKMOBGCPAUNQH-UHFFFAOYSA-N
MW2672.06 g/mol
LogP26.60
Rot. Bonds28

About N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 159814298) has the molecular formula C121H109F6N31O15S10 and a molecular weight of 2672.06 g/mol. Its IUPAC name is N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID159814298
Molecular FormulaC121H109F6N31O15S10
Molecular Weight2672.06 g/mol
Exact Mass2669.58
IUPAC NameN-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(C)=O)cc1C(F)(F)F.COc1cc(C)c(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(=O)(=O)N(C)C)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c3nc(Nc4ccccc4OC(C)(F)F)sc3ccc21
InChIInChI=1S/C19H15F3N4O2S.C18H19N5O3S2.C18H17N5O2S.C17H14F2N4OS.C17H16N4O3S2.C16H13FN4OS.C16H15N5O3S2/c1-9(27)10-6-11(19(20,21)22)17(28-3)12(7-10)24-18-25-16-14(29-18)5-4-13-15(16)23-8-26(13)2;1-22(2)28(24,25)11-5-7-14(26-4)12(9-11)20-18-21-17-15(27-18)8-6-13-16(17)19-10-23(13)3;1-9-6-13(25-3)11(7-10(9)17(19)24)21-18-22-16-14(26-18)5-4-12-15(16)20-8-23(12)2;1-17(18,19)24-12-6-4-3-5-10(12)21-16-22-15-13(25-16)8-7-11-14(15)20-9-23(11)2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(25-14)19-11-8-10(26(3,22)23)4-6-13(11)24-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(25-13)19-10-7-9(26(17,22)23)3-5-12(10)24-2/h4-8H,1-3H3,(H,24,25);5-10H,1-4H3,(H,20,21);4-8H,1-3H3,(H2,19,24)(H,21,22);3-9H,1-2H3,(H,21,22);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20)(H2,17,22,23)
InChIKeyNLKMOBGCPAUNQH-UHFFFAOYSA-N
XLogP26.60
TPSA555.63 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds28
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002672.06
LogP ≤ 526.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Analyze N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine with MolForge

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Related Compounds

N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide
CID 157222146
3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
CID 157458842
3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide
CID 158659251
N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide
CID 159004892
N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate
CID 159262171
N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate
CID 161160568
3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(6-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;6-methyl-N-[2-(2-methylpropyl)phenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(7-methyl-6-propylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;6-methyl-N-(2-propylphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 157481307
3-(4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-(4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-ylamino)-4-methoxybenzamide;3-(4,5-dihydro-[1,3]thiazolo[5,4-h]isoquinolin-2-ylamino)-4-(2-methylpropyl)benzamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide
CID 159477911
3-[[4-(1-Ethyl-2-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-methyl-3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;4-methyl-3-[[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 159992306
2-[[5-(Amino-methylidene-oxo-lambda6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide
CID 160586202

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 159814298) is N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is COc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(C)=O)cc1C(F)(F)F.COc1cc(C)c(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(=O)(=O)N(C)C)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c3nc(Nc4ccccc4OC(C)(F)F)sc3ccc21.
What is the InChIKey of N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is NLKMOBGCPAUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S.C18H19N5O3S2.C18H17N5O2S.C17H14F2N4OS.C17H16N4O3S2.C16H13FN4OS.C16H15N5O3S2/c1-9(27)10-6-11(19(20,21)22)17(28-3)12(7-10)24-18-25-16-14(29-18)5-4-13-15(16)23-8-26(13)2;1-22(2)28(24,25)11-5-7-14(26-4)12(9-11)20-18-21-17-15(27-18)8-6-13-16(17)19-10-23(13)3;1-9-6-13(25-3)11(7-10(9)17(19)24)21-18-22-16-14(26-18)5-4-12-15(16)20-8-23(12)2;1-17(18,19)24-12-6-4-3-5-10(12)21-16-22-15-13(25-16)8-7-11-14(15)20-9-23(11)2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(25-14)19-11-8-10(26(3,22)23)4-6-13(11)24-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(25-13)19-10-7-9(26(17,22)23)3-5-12(10)24-2/h4-8H,1-3H3,(H,24,25);5-10H,1-4H3,(H,20,21);4-8H,1-3H3,(H2,19,24)(H,21,22);3-9H,1-2H3,(H,21,22);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20)(H2,17,22,23).
What are the key properties of N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 2672.06 g/mol, XLogP of 26.60, 28 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 159814298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).