3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C88H88F2N22O9S10 — CID 158014774

About 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158014774) has the molecular formula C88H88F2N22O9S10 and a molecular weight of 1956.48 g/mol. Its IUPAC name is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 158014774
• Molecular Formula: C88H88F2N22O9S10
• Molecular Weight: 1956.48 g/mol
• Exact Mass: 1954.43
• IUPAC Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4c3OC(F)(F)O4)n2)s1.CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4cc(C)oc34)n2)s1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C)cs1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
• InChI: InChI=1S/C19H21N5O2S2.C18H16N4O2S2.C18H20N4OS2.C17H19N5OS2.C16H12F2N4O3S2/c1-4-5-12-6-7-13(17(20)26)8-14(12)23-18-24-15(9-27-18)16-10(2)21-19(28-16)22-11(3)25;1-9-7-12-5-4-6-13(15(12)24-9)21-17-22-14(8-25-17)16-10(2)19-18(26-16)20-11(3)23;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;1-3-4-10-5-6-11(15(18)23)7-12(10)21-17-22-13(8-24-17)14-9(2)20-16(19)25-14;1-7-13(27-15(19-7)20-8(2)23)10-6-26-14(22-10)21-9-4-3-5-11-12(9)25-16(17,18)24-11/h6-9H,4-5H2,1-3H3,(H2,20,26)(H,23,24)(H,21,22,25);4-8H,1-3H3,(H,21,22)(H,19,20,23);6-9H,4-5H2,1-3H3,(H2,19,23)(H,21,22);5-8H,3-4H2,1-2H3,(H2,18,23)(H2,19,20)(H,21,22);3-6H,1-2H3,(H,21,22)(H,19,20,23)
• InChIKey: FFHZTEXBPBLSHH-UHFFFAOYSA-N
• XLogP: 22.89
• TPSA: 463.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1956.48
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 158014774) is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4c3OC(F)(F)O4)n2)s1.CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4cc(C)oc34)n2)s1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C)cs1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.

What is the InChIKey of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is FFHZTEXBPBLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2.C18H16N4O2S2.C18H20N4OS2.C17H19N5OS2.C16H12F2N4O3S2/c1-4-5-12-6-7-13(17(20)26)8-14(12)23-18-24-15(9-27-18)16-10(2)21-19(28-16)22-11(3)25;1-9-7-12-5-4-6-13(15(12)24-9)21-17-22-14(8-25-17)16-10(2)19-18(26-16)20-11(3)23;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;1-3-4-10-5-6-11(15(18)23)7-12(10)21-17-22-13(8-24-17)14-9(2)20-16(19)25-14;1-7-13(27-15(19-7)20-8(2)23)10-6-26-14(22-10)21-9-4-3-5-11-12(9)25-16(17,18)24-11/h6-9H,4-5H2,1-3H3,(H2,20,26)(H,23,24)(H,21,22,25);4-8H,1-3H3,(H,21,22)(H,19,20,23);6-9H,4-5H2,1-3H3,(H2,19,23)(H,21,22);5-8H,3-4H2,1-2H3,(H2,18,23)(H2,19,20)(H,21,22);3-6H,1-2H3,(H,21,22)(H,19,20,23).

What are the key properties of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1956.48 g/mol, XLogP of 22.89, 27 rotatable bonds, 12 hydrogen bond donors, and 35 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-propylbenzamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propylbenzamide;N-[5-[2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-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-propylbenzamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158014774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).