N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine

C116H114N22O18S10 — CID 167598135

IUPACN-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCOc1ncc(NCc2nccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccoc3)n2)cn1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnnc(NCc3cccs3)n2)cc1.C[C@@H](Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccoc1.C[C@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.Cn1ccc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H19N3O2S.C18H18N2O3S.C17H17N3O2S2.C16H16N4O3S2.2C16H15N3O3S.C15H14N4O2S2/c1-21-11-10-14(13-21)12-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,22)23;1-13(15-10-11-23-12-15)19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-23-16-15(11-3-5-12(6-4-11)25(2,21)22)20-13(9-19-16)18-10-14-17-7-8-24-14;1-23(20,21)14-4-2-13(3-5-14)15-9-17-10-16(19-15)18-8-12-6-7-22-11-12;1-23(20,21)16-6-5-13(10-18-16)14-3-2-4-15(19-14)17-9-12-7-8-22-11-12;1-23(20,21)13-6-4-11(5-7-13)14-10-17-19-15(18-14)16-9-12-3-2-8-22-12/h3-11,13H,12H2,1-2H3,(H,19,20);3-13H,1-2H3,(H,19,20);3-12H,1-2H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,20);2-7,9-11H,8H2,1H3,(H,18,19);2-8,10-11H,9H2,1H3,(H,17,19);2-8,10H,9H2,1H3,(H,16,18,19)/t;13-;12-;;;;/m.10..../s1
InChIKeyJIYWBDFDIJFYRQ-SJGFYVCYSA-N
MW2424.99 g/mol
LogP21.55
Rot. Bonds36

About N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine

N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 167598135) has the molecular formula C116H114N22O18S10 and a molecular weight of 2424.99 g/mol. Its IUPAC name is N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID167598135
Molecular FormulaC116H114N22O18S10
Molecular Weight2424.99 g/mol
Exact Mass2422.59
IUPAC NameN-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCOc1ncc(NCc2nccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccoc3)n2)cn1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnnc(NCc3cccs3)n2)cc1.C[C@@H](Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccoc1.C[C@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.Cn1ccc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H19N3O2S.C18H18N2O3S.C17H17N3O2S2.C16H16N4O3S2.2C16H15N3O3S.C15H14N4O2S2/c1-21-11-10-14(13-21)12-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,22)23;1-13(15-10-11-23-12-15)19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-23-16-15(11-3-5-12(6-4-11)25(2,21)22)20-13(9-19-16)18-10-14-17-7-8-24-14;1-23(20,21)14-4-2-13(3-5-14)15-9-17-10-16(19-15)18-8-12-6-7-22-11-12;1-23(20,21)16-6-5-13(10-18-16)14-3-2-4-15(19-14)17-9-12-7-8-22-11-12;1-23(20,21)13-6-4-11(5-7-13)14-10-17-19-15(18-14)16-9-12-3-2-8-22-12/h3-11,13H,12H2,1-2H3,(H,19,20);3-13H,1-2H3,(H,19,20);3-12H,1-2H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,20);2-7,9-11H,8H2,1H3,(H,18,19);2-8,10-11H,9H2,1H3,(H,17,19);2-8,10H,9H2,1H3,(H,16,18,19)/t;13-;12-;;;;/m.10..../s1
InChIKeyJIYWBDFDIJFYRQ-SJGFYVCYSA-N
XLogP21.55
TPSA557.23 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.99
LogP ≤ 521.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine;3-methyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine;2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole;3-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]sulfanylmethyl]-1,2-oxazole;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazin-2-amine
CID 167601427
5-(furan-2-ylmethoxy)-2-methoxy-3-(4-methylsulfonylphenyl)pyrazine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;N-[(4-methylfuran-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-[(1-methylpyrrol-2-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-5-propan-2-yloxy-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethoxy)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 167647384
Cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)
CID 157526200
4,5-dimethylthiadiazole;ethane;2-methylfuran;3-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;bis(4-methyl-1,2,4-triazole);4-methyl-2H-triazole;1,4-thiazinane 1,1-dioxide
CID 158100101
Cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)
CID 158504682
CID 159792448
CID 159792448
2-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(furan-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrazine;2-methoxy-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;5-[2-(1-methylimidazol-2-yl)-6-methylsulfonylphenyl]-2H-tetrazole;4-methyl-2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole
CID 159982925
ethane;2-methylfuran;1-methylimidazole;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-2-one;5-methylpyrimidine;1-methylpyrrole;2-methyl-3H-pyrrole;1-methylpyrrolidine;bis(1-methyltetrazole);2-methyl-1,3,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,4-thiazinane 1,1-dioxide;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methylthiomorpholine;2-methylthiophene;3-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole
CID 160638667
8-[[2-(2-methoxyethylsulfonyl)pyrazol-3-yl]methyl]-6-(N-methylanilino)-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(2-methylsulfonylfuran-3-yl)methyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161726668
N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542079
N-(1-adamantyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-[(1S)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrazol-4-yl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine
CID 167545076
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-2-(4-methylsulfonylphenyl)pyridin-4-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;N-methyl-N-(2-methylpropyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridazine;3-(4-methylsulfonylphenyl)-5-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[4,5-b]pyridine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 167548962

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine (CID 167598135) is N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine is COc1ncc(NCc2nccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccoc3)n2)cn1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnnc(NCc3cccs3)n2)cc1.C[C@@H](Nc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccoc1.C[C@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.Cn1ccc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.
What is the InChIKey of N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is JIYWBDFDIJFYRQ-SJGFYVCYSA-N. The full InChI is InChI=1S/C18H19N3O2S.C18H18N2O3S.C17H17N3O2S2.C16H16N4O3S2.2C16H15N3O3S.C15H14N4O2S2/c1-21-11-10-14(13-21)12-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,22)23;1-13(15-10-11-23-12-15)19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-23-16-15(11-3-5-12(6-4-11)25(2,21)22)20-13(9-19-16)18-10-14-17-7-8-24-14;1-23(20,21)14-4-2-13(3-5-14)15-9-17-10-16(19-15)18-8-12-6-7-22-11-12;1-23(20,21)16-6-5-13(10-18-16)14-3-2-4-15(19-14)17-9-12-7-8-22-11-12;1-23(20,21)13-6-4-11(5-7-13)14-10-17-19-15(18-14)16-9-12-3-2-8-22-12/h3-11,13H,12H2,1-2H3,(H,19,20);3-13H,1-2H3,(H,19,20);3-12H,1-2H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,20);2-7,9-11H,8H2,1H3,(H,18,19);2-8,10-11H,9H2,1H3,(H,17,19);2-8,10H,9H2,1H3,(H,16,18,19)/t;13-;12-;;;;/m.10..../s1.
What are the key properties of N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine?
N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 2424.99 g/mol, XLogP of 21.55, 36 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-3-yl)ethyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-3-ylmethyl)-6-(6-methylsulfonyl-3-pyridinyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 167598135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).