N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

C191H206FN29O26S22 — CID 159481410

IUPACN,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(C/N=C/c3ccc(O)cc3)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(C/N=C/c3ccco3)n2)cc1.CNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.COc1cc(/C=N/Cc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O.Cc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1.O=S(=O)(c1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1)N1CCCC1
InChIInChI=1S/C22H24N2O2S2.C20H19FN2O2S2.C20H21N3O4S2.C19H19N3O3S2.C19H19N3O2S2.C17H17N3O3S2.C16H15N3O2S2.C15H19N3O2S2.C15H18N2O2S2.C14H17N3O2S2.C14H18N2O2S2/c1-17-5-7-18(8-6-17)15-22-23-21(16-27-22)19-9-11-20(12-10-19)28(25,26)24-13-3-2-4-14-24;21-17-7-3-15(4-8-17)13-20-22-19(14-26-20)16-5-9-18(10-6-16)27(24,25)23-11-1-2-12-23;1-23(2)29(25,26)16-7-5-15(6-8-16)17-13-28-20(22-17)12-21-11-14-4-9-18(24)19(10-14)27-3;1-22(2)27(24,25)17-9-5-15(6-10-17)18-13-26-19(21-18)12-20-11-14-3-7-16(23)8-4-14;23-26(24,22-11-2-1-3-12-22)17-8-6-15(7-9-17)18-14-25-19(21-18)16-5-4-10-20-13-16;1-20(2)25(21,22)15-7-5-13(6-8-15)16-12-24-17(19-16)11-18-10-14-4-3-9-23-14;1-19(2)23(20,21)14-7-5-12(6-8-14)15-11-22-16(18-15)13-4-3-9-17-10-13;1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18;1-12-16-15(11-20-12)13-5-7-14(8-6-13)21(18,19)17-9-3-2-4-10-17;15-14-16-13(10-20-14)11-4-6-12(7-5-11)21(18,19)17-8-2-1-3-9-17;1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h5-12,16H,2-4,13-15H2,1H3;3-10,14H,1-2,11-13H2;4-11,13,24H,12H2,1-3H3;3-11,13,23H,12H2,1-2H3;4-10,13-14H,1-3,11-12H2;3-10,12H,11H2,1-2H3;3-11H,1-2H3;5-8,11H,2-4,9-10H2,1H3,(H,16,17);5-8,11H,2-4,9-10H2,1H3;4-7,10H,1-3,8-9H2,(H2,15,16);6-10H,4-5H2,1-3H3/b;;21-11+;20-11+;;18-10+;;;;;
InChIKeyLXAXFTOTAKUZTN-RQPNQGDMSA-N
MW4048.40 g/mol
LogP38.46
Rot. Bonds52

About N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 159481410) has the molecular formula C191H206FN29O26S22 and a molecular weight of 4048.40 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID159481410
Molecular FormulaC191H206FN29O26S22
Molecular Weight4048.40 g/mol
Exact Mass4043.95
IUPAC NameN,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(C/N=C/c3ccc(O)cc3)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(C/N=C/c3ccco3)n2)cc1.CNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.COc1cc(/C=N/Cc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O.Cc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1.O=S(=O)(c1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1)N1CCCC1
InChIInChI=1S/C22H24N2O2S2.C20H19FN2O2S2.C20H21N3O4S2.C19H19N3O3S2.C19H19N3O2S2.C17H17N3O3S2.C16H15N3O2S2.C15H19N3O2S2.C15H18N2O2S2.C14H17N3O2S2.C14H18N2O2S2/c1-17-5-7-18(8-6-17)15-22-23-21(16-27-22)19-9-11-20(12-10-19)28(25,26)24-13-3-2-4-14-24;21-17-7-3-15(4-8-17)13-20-22-19(14-26-20)16-5-9-18(10-6-16)27(24,25)23-11-1-2-12-23;1-23(2)29(25,26)16-7-5-15(6-8-16)17-13-28-20(22-17)12-21-11-14-4-9-18(24)19(10-14)27-3;1-22(2)27(24,25)17-9-5-15(6-10-17)18-13-26-19(21-18)12-20-11-14-3-7-16(23)8-4-14;23-26(24,22-11-2-1-3-12-22)17-8-6-15(7-9-17)18-14-25-19(21-18)16-5-4-10-20-13-16;1-20(2)25(21,22)15-7-5-13(6-8-15)16-12-24-17(19-16)11-18-10-14-4-3-9-23-14;1-19(2)23(20,21)14-7-5-12(6-8-14)15-11-22-16(18-15)13-4-3-9-17-10-13;1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18;1-12-16-15(11-20-12)13-5-7-14(8-6-13)21(18,19)17-9-3-2-4-10-17;15-14-16-13(10-20-14)11-4-6-12(7-5-11)21(18,19)17-8-2-1-3-9-17;1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h5-12,16H,2-4,13-15H2,1H3;3-10,14H,1-2,11-13H2;4-11,13,24H,12H2,1-3H3;3-11,13,23H,12H2,1-2H3;4-10,13-14H,1-3,11-12H2;3-10,12H,11H2,1-2H3;3-11H,1-2H3;5-8,11H,2-4,9-10H2,1H3,(H,16,17);5-8,11H,2-4,9-10H2,1H3;4-7,10H,1-3,8-9H2,(H2,15,16);6-10H,4-5H2,1-3H3/b;;21-11+;20-11+;;18-10+;;;;;
InChIKeyLXAXFTOTAKUZTN-RQPNQGDMSA-N
XLogP38.46
TPSA716.71 Ų
H-Bond Donors4
H-Bond Acceptors55
Rotatable Bonds52
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004048.40
LogP ≤ 538.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 159481410) is N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(C/N=C/c3ccc(O)cc3)n2)cc1.CN(C)S(=O)(=O)c1ccc(-c2csc(C/N=C/c3ccco3)n2)cc1.CNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.COc1cc(/C=N/Cc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O.Cc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1.O=S(=O)(c1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1)N1CCCC1.
What is the InChIKey of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LXAXFTOTAKUZTN-RQPNQGDMSA-N. The full InChI is InChI=1S/C22H24N2O2S2.C20H19FN2O2S2.C20H21N3O4S2.C19H19N3O3S2.C19H19N3O2S2.C17H17N3O3S2.C16H15N3O2S2.C15H19N3O2S2.C15H18N2O2S2.C14H17N3O2S2.C14H18N2O2S2/c1-17-5-7-18(8-6-17)15-22-23-21(16-27-22)19-9-11-20(12-10-19)28(25,26)24-13-3-2-4-14-24;21-17-7-3-15(4-8-17)13-20-22-19(14-26-20)16-5-9-18(10-6-16)27(24,25)23-11-1-2-12-23;1-23(2)29(25,26)16-7-5-15(6-8-16)17-13-28-20(22-17)12-21-11-14-4-9-18(24)19(10-14)27-3;1-22(2)27(24,25)17-9-5-15(6-10-17)18-13-26-19(21-18)12-20-11-14-3-7-16(23)8-4-14;23-26(24,22-11-2-1-3-12-22)17-8-6-15(7-9-17)18-14-25-19(21-18)16-5-4-10-20-13-16;1-20(2)25(21,22)15-7-5-13(6-8-15)16-12-24-17(19-16)11-18-10-14-4-3-9-23-14;1-19(2)23(20,21)14-7-5-12(6-8-14)15-11-22-16(18-15)13-4-3-9-17-10-13;1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18;1-12-16-15(11-20-12)13-5-7-14(8-6-13)21(18,19)17-9-3-2-4-10-17;15-14-16-13(10-20-14)11-4-6-12(7-5-11)21(18,19)17-8-2-1-3-9-17;1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h5-12,16H,2-4,13-15H2,1H3;3-10,14H,1-2,11-13H2;4-11,13,24H,12H2,1-3H3;3-11,13,23H,12H2,1-2H3;4-10,13-14H,1-3,11-12H2;3-10,12H,11H2,1-2H3;3-11H,1-2H3;5-8,11H,2-4,9-10H2,1H3,(H,16,17);5-8,11H,2-4,9-10H2,1H3;4-7,10H,1-3,8-9H2,(H2,15,16);6-10H,4-5H2,1-3H3/b;;21-11+;20-11+;;18-10+;;;;;.
What are the key properties of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 4048.40 g/mol, XLogP of 38.46, 52 rotatable bonds, 4 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide;2-[(4-fluorophenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole;4-[2-[(furan-2-ylmethylideneamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxy-3-methoxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;4-[2-[[(4-hydroxyphenyl)methylideneamino]methyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;2-[(4-methylphenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;2-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole;4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 159481410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).