4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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

C140H137FN55O22S12+ — CID 161256694

IUPAC4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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
SMILESCOc1cccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.COc1cncc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.CS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1.C[N+]1(C)CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.Cc1csc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.Cn1ccnc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.[H]/N=C(\N)N1CCC(c2ccc(-c3cccc(S(=C)(N)=O)c3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C21H26N5O2S.C20H24N8OS.C14H13N5O3S.C13H10FN5O2S.C13H12N6O3S.C12H12N6O2S.C12H10N6O2S.C12H11N5O2S2.C12H10N4O3S.C11H9N5O2S2/c1-26(2)13-11-16(12-14-26)15-7-9-17(10-8-15)18-5-4-6-19(29(3,27)28)20(18)21-22-24-25-23-21;1-30(23,29)17-4-2-3-16(18(17)19-24-26-27-25-19)15-7-5-13(6-8-15)14-9-11-28(12-10-14)20(21)22;1-22-12-8-4-6-10(15-12)9-5-3-7-11(23(2,20)21)13(9)14-16-18-19-17-14;1-22(20,21)10-6-2-4-8(9-5-3-7-11(14)15-9)12(10)13-16-18-19-17-13;1-22-11-7-14-6-9(15-11)8-4-3-5-10(23(2,20)21)12(8)13-16-18-19-17-13;1-18-7-6-13-12(18)8-4-3-5-9(21(2,19)20)10(8)11-14-16-17-15-11;1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12;1-7-6-20-12(13-7)8-4-3-5-9(21(2,18)19)10(8)11-14-16-17-15-11;1-20(17,18)10-6-2-4-8(9-5-3-7-19-9)11(10)12-13-15-16-14-12;1-20(17,18)8-4-2-3-7(11-12-5-6-19-11)9(8)10-13-15-16-14-10/h4-10,16H,11-14H2,1-3H3,(H,22,23,24,25);2-8,14H,1,9-12H2,(H3,21,22)(H2,23,29)(H,24,25,26,27);3-8H,1-2H3,(H,16,17,18,19);2-7H,1H3,(H,16,17,18,19);3-7H,1-2H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,15,16,17,18);3-6H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,13,14,15,16);2-6H,1H3,(H,13,14,15,16)/q+1;;;;;;;;;
InChIKeyVBZZNLVIDOIEPS-UHFFFAOYSA-N
MW3345.80 g/mol
LogP14.02
Rot. Bonds34

About 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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

4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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 (PubChem CID 161256694) has the molecular formula C140H137FN55O22S12+ and a molecular weight of 3345.80 g/mol. Its IUPAC name is 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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.

Molecular Properties

Compound Name4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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
PubChem CID161256694
Molecular FormulaC140H137FN55O22S12+
Molecular Weight3345.80 g/mol
Exact Mass3342.79
IUPAC Name4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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
SMILESCOc1cccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.COc1cncc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.CS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1.C[N+]1(C)CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.Cc1csc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.Cn1ccnc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.[H]/N=C(\N)N1CCC(c2ccc(-c3cccc(S(=C)(N)=O)c3-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C21H26N5O2S.C20H24N8OS.C14H13N5O3S.C13H10FN5O2S.C13H12N6O3S.C12H12N6O2S.C12H10N6O2S.C12H11N5O2S2.C12H10N4O3S.C11H9N5O2S2/c1-26(2)13-11-16(12-14-26)15-7-9-17(10-8-15)18-5-4-6-19(29(3,27)28)20(18)21-22-24-25-23-21;1-30(23,29)17-4-2-3-16(18(17)19-24-26-27-25-19)15-7-5-13(6-8-15)14-9-11-28(12-10-14)20(21)22;1-22-12-8-4-6-10(15-12)9-5-3-7-11(23(2,20)21)13(9)14-16-18-19-17-14;1-22(20,21)10-6-2-4-8(9-5-3-7-11(14)15-9)12(10)13-16-18-19-17-13;1-22-11-7-14-6-9(15-11)8-4-3-5-10(23(2,20)21)12(8)13-16-18-19-17-13;1-18-7-6-13-12(18)8-4-3-5-9(21(2,19)20)10(8)11-14-16-17-15-11;1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12;1-7-6-20-12(13-7)8-4-3-5-9(21(2,18)19)10(8)11-14-16-17-15-11;1-20(17,18)10-6-2-4-8(9-5-3-7-19-9)11(10)12-13-15-16-14-12;1-20(17,18)8-4-2-3-7(11-12-5-6-19-11)9(8)10-13-15-16-14-10/h4-10,16H,11-14H2,1-3H3,(H,22,23,24,25);2-8,14H,1,9-12H2,(H3,21,22)(H2,23,29)(H,24,25,26,27);3-8H,1-2H3,(H,16,17,18,19);2-7H,1H3,(H,16,17,18,19);3-7H,1-2H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,15,16,17,18);3-6H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,13,14,15,16);2-6H,1H3,(H,13,14,15,16)/q+1;;;;;;;;;
InChIKeyVBZZNLVIDOIEPS-UHFFFAOYSA-N
XLogP14.02
TPSA1100.60 Ų
H-Bond Donors13
H-Bond Acceptors65
Rotatable Bonds34
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003345.80
LogP ≤ 514.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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 with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 157861504
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 157938902
2-methyl-1-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]benzonitrile;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]furo[3,2-b]pyridine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-1-amine;2-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethanamine;[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanamine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 158032619
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 158754663
cumene;(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-1,2,4-triazole;bis(4-(2-methylpropyl)-2H-triazole);5-(2-methylpropyl)-1H-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159131242
cumene;(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;bis(4-(2-methylpropyl)-2H-triazole);5-(2-methylpropyl)-1H-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159463089
cumene;N,3-dimethylbutanamide;ethane;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;3-ethyl-4-methyl-1,2,5-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;1H-imidazole;methyl acetate;N-methylbenzenesulfonamide;methyl benzoate;N-methylbutanamide;2-methyl-1H-imidazole;5-methyl-1H-imidazole;N-methylmethanesulfonamide;methyl N-methylcarbamate;methyl 2-methylpropanoate;1-methyl-3-(2-methylsulfanylethyl)urea;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;N-methylpropane-2-sulfonamide;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;1,3-oxazole;propane;bis(pyridine);bis(pyrimidine);tris(1,3-thiazole)
CID 159857187
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
cumene;ethane;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;3-ethyl-4-methyl-1,2,5-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;1H-imidazole;methane;methyl acetate;N-methylbenzenesulfonamide;methyl benzoate;2-methyl-1H-imidazole;5-methyl-1H-imidazole;N-methylmethanesulfonamide;methyl N-methylcarbamate;methyl 2-methylpropanoate;1-methyl-3-(2-methylsulfanylethyl)urea;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;N-methylpropane-2-sulfonamide;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;1,3-oxazole;propane;bis(pyridine);bis(pyrimidine);tris(1,3-thiazole)
CID 160879339
cumene;2,4-difluoro-1-propan-2-ylbenzene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
CID 161417734
cumene;ethane;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;3-ethyl-4-methyl-1,2,5-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;1H-imidazole;methyl acetate;N-methylbenzenesulfonamide;methyl benzoate;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl N-methylcarbamate;methyl 2-methylpropanoate;1-methyl-3-(2-methylsulfanylethyl)urea;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;1,3-oxazole;propane;bis(pyridine);bis(pyrimidine);tris(1,3-thiazole)
CID 161474161
18-fluoro-25-methoxy-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;(14R)-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;26-methoxy-23,23-dioxo-23lambda6-thia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;25-methoxy-22,22-dioxo-3,12,22lambda6-trithia-6,8,23,26,30-pentazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,13(30),17(29),18,20,24,26-dodecaen-16-one;25-methoxy-22,22-dioxo-3,22lambda6,30-trithia-6,23,26-triazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4(9),5,7,10,12,17(29),18,20,24,26-dodecaen-16-one
CID 161506532

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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?
The IUPAC name of 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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 161256694) is 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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.
What is the SMILES notation for 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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?
The canonical SMILES for 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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 is COc1cccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.COc1cncc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.CS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccco2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ncccn2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1.C[N+]1(C)CCC(c2ccc(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.Cc1csc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.Cn1ccnc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.[H]/N=C(\N)N1CCC(c2ccc(-c3cccc(S(=C)(N)=O)c3-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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?
The InChIKey is VBZZNLVIDOIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N5O2S.C20H24N8OS.C14H13N5O3S.C13H10FN5O2S.C13H12N6O3S.C12H12N6O2S.C12H10N6O2S.C12H11N5O2S2.C12H10N4O3S.C11H9N5O2S2/c1-26(2)13-11-16(12-14-26)15-7-9-17(10-8-15)18-5-4-6-19(29(3,27)28)20(18)21-22-24-25-23-21;1-30(23,29)17-4-2-3-16(18(17)19-24-26-27-25-19)15-7-5-13(6-8-15)14-9-11-28(12-10-14)20(21)22;1-22-12-8-4-6-10(15-12)9-5-3-7-11(23(2,20)21)13(9)14-16-18-19-17-14;1-22(20,21)10-6-2-4-8(9-5-3-7-11(14)15-9)12(10)13-16-18-19-17-13;1-22-11-7-14-6-9(15-11)8-4-3-5-10(23(2,20)21)12(8)13-16-18-19-17-13;1-18-7-6-13-12(18)8-4-3-5-9(21(2,19)20)10(8)11-14-16-17-15-11;1-21(19,20)9-5-2-4-8(11-13-6-3-7-14-11)10(9)12-15-17-18-16-12;1-7-6-20-12(13-7)8-4-3-5-9(21(2,18)19)10(8)11-14-16-17-15-11;1-20(17,18)10-6-2-4-8(9-5-3-7-19-9)11(10)12-13-15-16-14-12;1-20(17,18)8-4-2-3-7(11-12-5-6-19-11)9(8)10-13-15-16-14-10/h4-10,16H,11-14H2,1-3H3,(H,22,23,24,25);2-8,14H,1,9-12H2,(H3,21,22)(H2,23,29)(H,24,25,26,27);3-8H,1-2H3,(H,16,17,18,19);2-7H,1H3,(H,16,17,18,19);3-7H,1-2H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,15,16,17,18);3-6H,1-2H3,(H,14,15,16,17);2-7H,1H3,(H,13,14,15,16);2-6H,1H3,(H,13,14,15,16)/q+1;;;;;;;;;.
What are the key properties of 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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?
4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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 has a molecular weight of 3345.80 g/mol, XLogP of 14.02, 34 rotatable bonds, 13 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide;1,1-dimethyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidin-1-ium;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 is sourced from PubChem (CID 161256694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).