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

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 159611181) 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.

What is the InChIKey of 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?

The InChIKey is MMSCIKPZVVDEOD-UHFFFAOYSA-N. The full InChI is 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).

What are the key properties of 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 has a molecular weight of 2795.61 g/mol, XLogP of 31.06, 38 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159611181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).