(5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C113H129F13N32O14S7 — CID 159322901

IUPAC(5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCC1=Cc2cc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)cc2C1.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(C)(C)C)cc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(F)(F)F)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(CC(F)(F)F)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(CC4CC4)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(Cc4ccccn4)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3c(cc2F)C=C(c2ccccn2)C3)CS1(=O)=O
InChIInChI=1S/C19H19FN4O2S.C18H19FN6O2S.C17H23FN4O2S.C16H20FN5O2S.C16H20FN3O2S.C14H15F4N5O2S.C13H13F4N5O2S/c1-19(11-27(25,26)24(2)18(21)23-19)15-9-12-7-14(8-13(12)10-16(15)20)17-5-3-4-6-22-17;1-18(10-28(26,27)25(2)17(20)24-18)12-8-14-15(9-13(12)19)23-16(22-14)7-11-5-3-4-6-21-11;1-16(2,3)14-7-10-6-12(18)11(8-13(10)20-14)17(4)9-25(23,24)22(5)15(19)21-17;1-16(8-25(23,24)22(2)15(18)21-16)10-6-12-13(7-11(10)17)20-14(19-12)5-9-3-4-9;1-4-10-5-11-7-13(14(17)8-12(11)6-10)16(2)9-23(21,22)20(3)15(18)19-16;1-13(6-26(24,25)23(2)12(19)22-13)7-3-9-10(4-8(7)15)21-11(20-9)5-14(16,17)18;1-12(5-25(23,24)22(2)11(18)21-12)6-3-8-9(4-7(6)14)20-10(19-8)13(15,16)17/h3-6,8-10H,7,11H2,1-2H3,(H2,21,23);3-6,8-9H,7,10H2,1-2H3,(H2,20,24)(H,22,23);6-8,20H,9H2,1-5H3,(H2,19,21);6-7,9H,3-5,8H2,1-2H3,(H2,18,21)(H,19,20);6-8H,4-5,9H2,1-3H3,(H2,18,19);3-4H,5-6H2,1-2H3,(H2,19,22)(H,20,21);3-4H,5H2,1-2H3,(H2,18,21)(H,19,20)/t19-;18-;17-;2*16-;13-;12-/m0000000/s1
InChIKeyLDZJAUZYMRPWSM-NNTFFVPISA-N
MW2630.93 g/mol
LogP12.60
Rot. Bonds14

About (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

(5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 159322901) has the molecular formula C113H129F13N32O14S7 and a molecular weight of 2630.93 g/mol. Its IUPAC name is (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID159322901
Molecular FormulaC113H129F13N32O14S7
Molecular Weight2630.93 g/mol
Exact Mass2628.82
IUPAC Name(5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCC1=Cc2cc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)cc2C1.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(C)(C)C)cc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(F)(F)F)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(CC(F)(F)F)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(CC4CC4)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(Cc4ccccn4)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3c(cc2F)C=C(c2ccccn2)C3)CS1(=O)=O
InChIInChI=1S/C19H19FN4O2S.C18H19FN6O2S.C17H23FN4O2S.C16H20FN5O2S.C16H20FN3O2S.C14H15F4N5O2S.C13H13F4N5O2S/c1-19(11-27(25,26)24(2)18(21)23-19)15-9-12-7-14(8-13(12)10-16(15)20)17-5-3-4-6-22-17;1-18(10-28(26,27)25(2)17(20)24-18)12-8-14-15(9-13(12)19)23-16(22-14)7-11-5-3-4-6-21-11;1-16(2,3)14-7-10-6-12(18)11(8-13(10)20-14)17(4)9-25(23,24)22(5)15(19)21-17;1-16(8-25(23,24)22(2)15(18)21-16)10-6-12-13(7-11(10)17)20-14(19-12)5-9-3-4-9;1-4-10-5-11-7-13(14(17)8-12(11)6-10)16(2)9-23(21,22)20(3)15(18)19-16;1-13(6-26(24,25)23(2)12(19)22-13)7-3-9-10(4-8(7)15)21-11(20-9)5-14(16,17)18;1-12(5-25(23,24)22(2)11(18)21-12)6-3-8-9(4-7(6)14)20-10(19-8)13(15,16)17/h3-6,8-10H,7,11H2,1-2H3,(H2,21,23);3-6,8-9H,7,10H2,1-2H3,(H2,20,24)(H,22,23);6-8,20H,9H2,1-5H3,(H2,19,21);6-7,9H,3-5,8H2,1-2H3,(H2,18,21)(H,19,20);6-8H,4-5,9H2,1-3H3,(H2,18,19);3-4H,5-6H2,1-2H3,(H2,19,22)(H,20,21);3-4H,5H2,1-2H3,(H2,18,21)(H,19,20)/t19-;18-;17-;2*16-;13-;12-/m0000000/s1
InChIKeyLDZJAUZYMRPWSM-NNTFFVPISA-N
XLogP12.60
TPSA686.61 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002630.93
LogP ≤ 512.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Related Compounds

N-[3-[[2-(6-fluoro-1H-benzimidazol-2-yl)-4-[[6-(methylsulfonylmethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-1-yl]amino]phenyl]methyl]-4-methyl-5-(5-pyridin-3-yl-1H-pyrrol-2-yl)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 91033074
CID 157458247
CID 157458247
N-methyl-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-inden-2-yl)ethanamine;N-methyl-1-(4,5,6-trimethyl-1H-inden-2-yl)-1-(5,6,7-trimethyl-1H-indol-4-yl)ethanamine;1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-inden-2-yl)ethanamine;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole
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7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;7-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole
CID 157929099
2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-7-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-7-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;7-[3-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-5-(3,3,3-trifluoropropyl)-1H-imidazol-4-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole
CID 158635730
CID 158872863
CID 158872863
(5R)-5-(2-tert-butyl-6-fluoro-3H-benzimidazol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-methylsulfonyl-3H-indol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-propan-2-yl-3H-benzimidazol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 158968145
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;3-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;4-methylphenanthro[9,10-b]pyrazin-4-ium;1,3,12-trimethylphenanthro[9,10-b]pyrazin-1-ium
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2,6-dimethyl-1H-benzimidazole;2-[[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]methyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]methyl]-1H-benzimidazole;2-methyl-6-[2-[4-[[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole;5-methyl-11-(5-methyl-3-pyridinyl)-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;5-methyl-11-(6-methyl-2-pyridinyl)-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;2-methyl-6-[2-[[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]methyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
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1-tert-butyl-2-methyl-3,4-di(propan-2-yl)benzene;1-(1,1-difluoroethyl)-2-methyl-3,4-di(propan-2-yl)benzene;bis(4,5-di(propan-2-yl)-1H-imidazole);2,3-di(propan-2-yl)-1H-indole;4,5-di(propan-2-yl)-2H-pyrrole;bis(1-methyl-2,3-di(propan-2-yl)benzene);2-methyl-3,4-di(propan-2-yl)pyridine;bis(4-methyl-2,3-di(propan-2-yl)pyridine);bis(5-methyl-2,3-di(propan-2-yl)-1H-pyrrole)
CID 164083718
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 169426593
2-[2-(4-tert-butyl-9H-carbazol-1-yl)-1-(3-pyridin-4-ylphenyl)benzimidazol-4-yl]-9-(4-phenyl-2-pyridinyl)-6-(trifluoromethyl)carbazole
CID 176642757

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 159322901) is (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CCC1=Cc2cc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)cc2C1.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(C)(C)C)cc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(F)(F)F)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(CC(F)(F)F)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(CC4CC4)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3[nH]c(Cc4ccccn4)nc3cc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3c(cc2F)C=C(c2ccccn2)C3)CS1(=O)=O.
What is the InChIKey of (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is LDZJAUZYMRPWSM-NNTFFVPISA-N. The full InChI is InChI=1S/C19H19FN4O2S.C18H19FN6O2S.C17H23FN4O2S.C16H20FN5O2S.C16H20FN3O2S.C14H15F4N5O2S.C13H13F4N5O2S/c1-19(11-27(25,26)24(2)18(21)23-19)15-9-12-7-14(8-13(12)10-16(15)20)17-5-3-4-6-22-17;1-18(10-28(26,27)25(2)17(20)24-18)12-8-14-15(9-13(12)19)23-16(22-14)7-11-5-3-4-6-21-11;1-16(2,3)14-7-10-6-12(18)11(8-13(10)20-14)17(4)9-25(23,24)22(5)15(19)21-17;1-16(8-25(23,24)22(2)15(18)21-16)10-6-12-13(7-11(10)17)20-14(19-12)5-9-3-4-9;1-4-10-5-11-7-13(14(17)8-12(11)6-10)16(2)9-23(21,22)20(3)15(18)19-16;1-13(6-26(24,25)23(2)12(19)22-13)7-3-9-10(4-8(7)15)21-11(20-9)5-14(16,17)18;1-12(5-25(23,24)22(2)11(18)21-12)6-3-8-9(4-7(6)14)20-10(19-8)13(15,16)17/h3-6,8-10H,7,11H2,1-2H3,(H2,21,23);3-6,8-9H,7,10H2,1-2H3,(H2,20,24)(H,22,23);6-8,20H,9H2,1-5H3,(H2,19,21);6-7,9H,3-5,8H2,1-2H3,(H2,18,21)(H,19,20);6-8H,4-5,9H2,1-3H3,(H2,18,19);3-4H,5-6H2,1-2H3,(H2,19,22)(H,20,21);3-4H,5H2,1-2H3,(H2,18,21)(H,19,20)/t19-;18-;17-;2*16-;13-;12-/m0000000/s1.
What are the key properties of (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2630.93 g/mol, XLogP of 12.60, 14 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-tert-butyl-5-fluoro-1H-indol-6-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(2-ethyl-6-fluoro-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-pyridin-2-yl-3H-inden-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 159322901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).