3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;N-[5-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzamide;5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-(2-methoxy-5-phenylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[2-methoxy-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
C121H127F3N30O14S16 — CID 159611181
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;N-[5-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzamide;5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-(2-methoxy-5-phenylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[2-methoxy-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;N-[5-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzamide;5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-(2-methoxy-5-phenylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[2-methoxy-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 159611181) has the molecular formula C121H127F3N30O14S16 and a molecular weight of 2795.61 g/mol. Its IUPAC name is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;N-[5-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzamide;5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-(2-methoxy-5-phenylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[2-methoxy-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
Molecular Properties
| Compound Name | 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;N-[5-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzamide;5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-(2-methoxy-5-phenylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[2-methoxy-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine |
|---|---|
| PubChem CID | 159611181 |
| Molecular Formula | C121H127F3N30O14S16 |
| Molecular Weight | 2795.61 g/mol |
| Exact Mass | 2792.56 |
| IUPAC Name | 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;N-[5-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzamide;5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-(2-methoxy-5-phenylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;5-[2-[2-methoxy-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine |
| SMILES | CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4c3OCCO4)n2)s1.CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)c1.COc1ccc(-c2ccccc2)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(C(F)(F)F)cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc(C)cc1Nc1nc(-c2sc(N)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3C)n2)s1 |
| InChI | InChI=1S/C20H25N5O4S3.C20H18N4OS2.C18H23N5O3S3.C17H16N4O3S2.C16H16N4OS2.C15H13F3N4OS2.C15H16N4OS2/c1-6-25(7-2)32(27,28)14-8-9-17(29-5)15(10-14)23-19-24-16(11-30-19)18-12(3)21-20(31-18)22-13(4)26;1-12-18(27-19(21)22-12)16-11-26-20(24-16)23-15-10-14(8-9-17(15)25-2)13-6-4-3-5-7-13;1-5-23(6-2)29(24,25)12-7-8-15(26-4)13(9-12)21-18-22-14(10-27-18)16-11(3)20-17(19)28-16;1-9-15(26-17(18-9)19-10(2)22)12-8-25-16(21-12)20-11-4-3-5-13-14(11)24-7-6-23-13;1-8-4-5-11(15(17)21)6-12(8)19-16-20-13(7-22-16)14-9(2)18-10(3)23-14;1-7-12(25-13(19)20-7)10-6-24-14(22-10)21-9-5-8(15(16,17)18)3-4-11(9)23-2;1-8-4-5-12(20-3)10(6-8)18-15-19-11(7-21-15)13-9(2)17-14(16)22-13/h8-11H,6-7H2,1-5H3,(H,23,24)(H,21,22,26);3-11H,1-2H3,(H2,21,22)(H,23,24);7-10H,5-6H2,1-4H3,(H2,19,20)(H,21,22);3-5,8H,6-7H2,1-2H3,(H,20,21)(H,18,19,22);4-7H,1-3H3,(H2,17,21)(H,19,20);3-6H,1-2H3,(H2,19,20)(H,21,22);4-7H,1-3H3,(H2,16,17)(H,18,19) |
| InChIKey | MMSCIKPZVVDEOD-UHFFFAOYSA-N |
| XLogP | 31.06 |
| TPSA | 609.41 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 184 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2795.61 |
| LogP ≤ 5 | 31.06 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 53 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159611181 — identifiers, structure, computed properties (public domain)
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