(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

C106H126F13N35O16S8 — CID 158968145

IUPAC(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
SMILESCC(C)c1nc2cc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)cc2[nH]1.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(C)(C)C)nc3cc2F)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)N=C(S(C)(=O)=O)C3)CS1(=O)=O
InChIInChI=1S/C18H19FN6O2S.C16H20FN5O2S.C16H22FN5O2S.C15H20FN5O2S.C14H15F4N5O2S.C14H17FN4O4S2.C13H13F4N5O2S/c1-18(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(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;1-15(2,3)13-19-11-6-9(10(17)7-12(11)20-13)16(4)8-25(23,24)22(5)14(18)21-16;1-8(2)13-18-11-5-9(10(16)6-12(11)19-13)15(3)7-24(22,23)21(4)14(17)20-15;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;1-14(7-25(22,23)19(2)13(16)18-14)9-4-8-5-12(24(3,20)21)17-11(8)6-10(9)15;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/h3-6,8-9H,7,10H2,1-2H3,(H2,20,24)(H,22,23);6-7,9H,3-5,8H2,1-2H3,(H2,18,21)(H,19,20);6-7H,8H2,1-5H3,(H2,18,21)(H,19,20);5-6,8H,7H2,1-4H3,(H2,17,20)(H,18,19);3-4H,5-6H2,1-2H3,(H2,19,22)(H,20,21);4,6H,5,7H2,1-3H3,(H2,16,18);3-4H,5H2,1-2H3,(H2,18,21)(H,19,20)/t18-;2*16-;15-;13-;14-;12-/m0000000/s1
InChIKeyJNLUZYLTVWZCOC-XZLHVODRSA-N
MW2649.91 g/mol
LogP9.79
Rot. Bonds13

About (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

(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 (PubChem CID 158968145) has the molecular formula C106H126F13N35O16S8 and a molecular weight of 2649.91 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158968145
Molecular FormulaC106H126F13N35O16S8
Molecular Weight2649.91 g/mol
Exact Mass2647.77
IUPAC Name(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
SMILESCC(C)c1nc2cc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)cc2[nH]1.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(C)(C)C)nc3cc2F)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)N=C(S(C)(=O)=O)C3)CS1(=O)=O
InChIInChI=1S/C18H19FN6O2S.C16H20FN5O2S.C16H22FN5O2S.C15H20FN5O2S.C14H15F4N5O2S.C14H17FN4O4S2.C13H13F4N5O2S/c1-18(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(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;1-15(2,3)13-19-11-6-9(10(17)7-12(11)20-13)16(4)8-25(23,24)22(5)14(18)21-16;1-8(2)13-18-11-5-9(10(16)6-12(11)19-13)15(3)7-24(22,23)21(4)14(17)20-15;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;1-14(7-25(22,23)19(2)13(16)18-14)9-4-8-5-12(24(3,20)21)17-11(8)6-10(9)15;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/h3-6,8-9H,7,10H2,1-2H3,(H2,20,24)(H,22,23);6-7,9H,3-5,8H2,1-2H3,(H2,18,21)(H,19,20);6-7H,8H2,1-5H3,(H2,18,21)(H,19,20);5-6,8H,7H2,1-4H3,(H2,17,20)(H,18,19);3-4H,5-6H2,1-2H3,(H2,19,22)(H,20,21);4,6H,5,7H2,1-3H3,(H2,16,18);3-4H,5H2,1-2H3,(H2,18,21)(H,19,20)/t18-;2*16-;15-;13-;14-;12-/m0000000/s1
InChIKeyJNLUZYLTVWZCOC-XZLHVODRSA-N
XLogP9.79
TPSA761.79 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds13
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.91
LogP ≤ 59.79
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze (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 with MolForge

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Launch Full Analysis

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
(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
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(trifluoromethyl)-3H-indol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 160059257
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine
CID 160315759
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 161495980
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
5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157509895
N-[5-[(1-ethylpiperidin-4-yl)-methylsulfanylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(R)-(1-ethylpiperidin-4-yl)-methylsulfanylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(S)-(1-ethylpiperidin-4-yl)-methylsulfanylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(1-ethylpiperidin-4-yl)-methylsulfonylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(R)-(1-ethylpiperidin-4-yl)-methylsulfonylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 157919849
N-[5-[(1-ethylpiperidin-4-yl)-methylsulfanylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(R)-(1-ethylpiperidin-4-yl)-methylsulfanylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(S)-(1-ethylpiperidin-4-yl)-methylsulfanylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(1-ethylpiperidin-4-yl)-methylsulfonylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(R)-(1-ethylpiperidin-4-yl)-methylsulfonylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(S)-(1-ethylpiperidin-4-yl)-methylsulfonylmethyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 158103123
5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;N-[[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine;methane
CID 158310799
6-(2-methyl-3H-indol-5-yl)-2-(3-methylphenyl)-1H-benzimidazole;6-(2-methyl-3H-indol-5-yl)-2-(4-methylphenyl)-1H-benzimidazole;6-(2-methyl-3H-indol-5-yl)-2-(6-methyl-3-pyridinyl)-1H-benzimidazole;6-[(2-methyl-3H-indol-6-yl)sulfonyl]-2-(3-methylphenyl)-1H-benzimidazole;6-[(2-methyl-3H-indol-6-yl)sulfonyl]-2-(4-methylphenyl)-1H-benzimidazole;6-[(2-methyl-3H-indol-6-yl)sulfonyl]-2-(6-methyl-3-pyridinyl)-1H-benzimidazole
CID 160478177
5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 161174286

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1nc2cc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)cc2[nH]1.CN1C(N)=N[C@](C)(c2cc3[nH]c(C(C)(C)C)nc3cc2F)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)N=C(S(C)(=O)=O)C3)CS1(=O)=O.
What is the InChIKey of (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?
The InChIKey is JNLUZYLTVWZCOC-XZLHVODRSA-N. The full InChI is InChI=1S/C18H19FN6O2S.C16H20FN5O2S.C16H22FN5O2S.C15H20FN5O2S.C14H15F4N5O2S.C14H17FN4O4S2.C13H13F4N5O2S/c1-18(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(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;1-15(2,3)13-19-11-6-9(10(17)7-12(11)20-13)16(4)8-25(23,24)22(5)14(18)21-16;1-8(2)13-18-11-5-9(10(16)6-12(11)19-13)15(3)7-24(22,23)21(4)14(17)20-15;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;1-14(7-25(22,23)19(2)13(16)18-14)9-4-8-5-12(24(3,20)21)17-11(8)6-10(9)15;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/h3-6,8-9H,7,10H2,1-2H3,(H2,20,24)(H,22,23);6-7,9H,3-5,8H2,1-2H3,(H2,18,21)(H,19,20);6-7H,8H2,1-5H3,(H2,18,21)(H,19,20);5-6,8H,7H2,1-4H3,(H2,17,20)(H,18,19);3-4H,5-6H2,1-2H3,(H2,19,22)(H,20,21);4,6H,5,7H2,1-3H3,(H2,16,18);3-4H,5H2,1-2H3,(H2,18,21)(H,19,20)/t18-;2*16-;15-;13-;14-;12-/m0000000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2649.91 g/mol, XLogP of 9.79, 13 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158968145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).