3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide

C108H119BrN26O12S12 — CID 157386480

About 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide (PubChem CID 157386480) has the molecular formula C108H119BrN26O12S12 and a molecular weight of 2438.02 g/mol. Its IUPAC name is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide.

Molecular Properties

• Compound Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide
• PubChem CID: 157386480
• Molecular Formula: C108H119BrN26O12S12
• Molecular Weight: 2438.02 g/mol
• Exact Mass: 2434.53
• IUPAC Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide
• SMILES: CC(=O)Nc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.Cc1nc(C)c(-c2nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc2Br)s1.Cc1nc(N)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C19H21N5O3S2.C18H19BrN4O2S2.2C18H20N4O2S2.C18H20N4OS2.C17H19N5O2S2/c1-9(2)27-15-6-5-12(17(20)26)7-13(15)23-18-24-14(8-28-18)16-10(3)21-19(29-16)22-11(4)25;1-8(2)25-13-6-5-11(17(20)24)7-12(13)22-18-23-14(16(19)27-18)15-9(3)21-10(4)26-15;2*1-9(2)24-15-6-5-12(17(19)23)7-13(15)21-18-22-14(8-25-18)16-10(3)20-11(4)26-16;1-4-5-12-6-7-13(17(19)23)8-14(12)21-18-22-15(9-24-18)16-10(2)20-11(3)25-16;1-8(2)24-13-5-4-10(15(18)23)6-11(13)21-17-22-12(7-25-17)14-9(3)20-16(19)26-14/h5-9H,1-4H3,(H2,20,26)(H,23,24)(H,21,22,25);5-8H,1-4H3,(H2,20,24)(H,22,23);2*5-9H,1-4H3,(H2,19,23)(H,21,22);6-9H,4-5H2,1-3H3,(H2,19,23)(H,21,22);4-8H,1-3H3,(H2,18,23)(H2,19,20)(H,21,22)
• InChIKey: BLMMEYMZYPLTPH-UHFFFAOYSA-N
• XLogP: 26.93
• TPSA: 586.67 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 43
• Rotatable Bonds: 37
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.02
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	43

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-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide?

The IUPAC name of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide (CID 157386480) is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide.

What is the SMILES notation for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide?

The canonical SMILES for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.Cc1nc(C)c(-c2nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc2Br)s1.Cc1nc(N)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-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide?

The InChIKey is BLMMEYMZYPLTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2.C18H19BrN4O2S2.2C18H20N4O2S2.C18H20N4OS2.C17H19N5O2S2/c1-9(2)27-15-6-5-12(17(20)26)7-13(15)23-18-24-14(8-28-18)16-10(3)21-19(29-16)22-11(4)25;1-8(2)25-13-6-5-11(17(20)24)7-12(13)22-18-23-14(16(19)27-18)15-9(3)21-10(4)26-15;2*1-9(2)24-15-6-5-12(17(19)23)7-13(15)21-18-22-14(8-25-18)16-10(3)20-11(4)26-16;1-4-5-12-6-7-13(17(19)23)8-14(12)21-18-22-15(9-24-18)16-10(2)20-11(3)25-16;1-8(2)24-13-5-4-10(15(18)23)6-11(13)21-17-22-12(7-25-17)14-9(3)20-16(19)26-14/h5-9H,1-4H3,(H2,20,26)(H,23,24)(H,21,22,25);5-8H,1-4H3,(H2,20,24)(H,22,23);2*5-9H,1-4H3,(H2,19,23)(H,21,22);6-9H,4-5H2,1-3H3,(H2,19,23)(H,21,22);4-8H,1-3H3,(H2,18,23)(H2,19,20)(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-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide?

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide has a molecular weight of 2438.02 g/mol, XLogP of 26.93, 37 rotatable bonds, 14 hydrogen bond donors, and 43 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-propan-2-yloxybenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[5-bromo-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;bis(3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide);3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide is sourced from PubChem (CID 157386480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).