3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate

C83H85F3N24O12S10 — CID 161447584

About 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate (PubChem CID 161447584) has the molecular formula C83H85F3N24O12S10 and a molecular weight of 1988.41 g/mol. Its IUPAC name is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate.

Molecular Properties

• Compound Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate
• PubChem CID: 161447584
• Molecular Formula: C83H85F3N24O12S10
• Molecular Weight: 1988.41 g/mol
• Exact Mass: 1986.39
• IUPAC Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate
• SMILES: COC(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C(F)(F)F)cs1.COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(NC(C)=O)cc1Nc1nc(-c2sc(N)nc2C)cs1.Cc1nc(N(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C19H23N5O2S2.C17H17N5O3S2.C16H17N5O2S2.C16H16N4O3S2.C15H12F3N5O2S2/c1-10(2)26-15-7-6-12(17(20)25)8-13(15)22-18-23-14(9-27-18)16-11(3)21-19(28-16)24(4)5;1-8-14(27-17(19-8)20-9(2)23)12-7-26-16(22-12)21-11-6-10(15(18)24)4-5-13(11)25-3;1-8-14(25-15(17)18-8)12-7-24-16(21-12)20-11-6-10(19-9(2)22)4-5-13(11)23-3;1-8-13(25-15(17)18-8)11-7-24-16(20-11)19-10-6-9(14(21)23-3)4-5-12(10)22-2;1-25-9-3-2-6(12(19)24)4-7(9)21-14-22-8(5-26-14)10-11(15(16,17)18)23-13(20)27-10/h6-10H,1-5H3,(H2,20,25)(H,22,23);4-7H,1-3H3,(H2,18,24)(H,21,22)(H,19,20,23);4-7H,1-3H3,(H2,17,18)(H,19,22)(H,20,21);4-7H,1-3H3,(H2,17,18)(H,19,20);2-5H,1H3,(H2,19,24)(H2,20,23)(H,21,22)
• InChIKey: WACCHNFEGIWEPY-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 530.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.41
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

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-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate?

The IUPAC name of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate (CID 161447584) is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate.

What is the SMILES notation for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate?

The canonical SMILES for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C(F)(F)F)cs1.COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(NC(C)=O)cc1Nc1nc(-c2sc(N)nc2C)cs1.Cc1nc(N(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.

What is the InChIKey of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate?

The InChIKey is WACCHNFEGIWEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S2.C17H17N5O3S2.C16H17N5O2S2.C16H16N4O3S2.C15H12F3N5O2S2/c1-10(2)26-15-7-6-12(17(20)25)8-13(15)22-18-23-14(9-27-18)16-11(3)21-19(28-16)24(4)5;1-8-14(27-17(19-8)20-9(2)23)12-7-26-16(22-12)21-11-6-10(15(18)24)4-5-13(11)25-3;1-8-14(25-15(17)18-8)12-7-24-16(21-12)20-11-6-10(19-9(2)22)4-5-13(11)23-3;1-8-13(25-15(17)18-8)11-7-24-16(20-11)19-10-6-9(14(21)23-3)4-5-12(10)22-2;1-25-9-3-2-6(12(19)24)4-7(9)21-14-22-8(5-26-14)10-11(15(16,17)18)23-13(20)27-10/h6-10H,1-5H3,(H2,20,25)(H,22,23);4-7H,1-3H3,(H2,18,24)(H,21,22)(H,19,20,23);4-7H,1-3H3,(H2,17,18)(H,19,22)(H,20,21);4-7H,1-3H3,(H2,17,18)(H,19,20);2-5H,1H3,(H2,19,24)(H2,20,23)(H,21,22).

What are the key properties of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate?

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate has a molecular weight of 1988.41 g/mol, XLogP of 18.94, 28 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;N-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxyphenyl]acetamide;3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;methyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoate is sourced from PubChem (CID 161447584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).