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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C106H108F2N26O12S12 — CID 157104120

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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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 157104120) has the molecular formula C106H108F2N26O12S12 and a molecular weight of 2361.00 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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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: 157104120
• Molecular Formula: C106H108F2N26O12S12
• Molecular Weight: 2361.00 g/mol
• Exact Mass: 2358.53
• 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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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(N)nc2C)cs1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(C)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)(C)C)n2)s1
• InChI: InChI=1S/C19H21N5O2S2.C19H22N4O2S2.C18H16N4O2S2.C17H19N5OS2.C17H18N4O2S2.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;1-10-16(27-11(2)21-10)14-9-26-18(23-14)22-13-8-12(17(20)24)6-7-15(13)25-19(3,4)5;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;1-3-4-10-5-6-11(15(18)23)7-12(10)21-17-22-13(8-24-17)14-9(2)20-16(19)25-14;1-9-5-6-14(23-4)12(7-9)20-16-21-13(8-24-16)15-10(2)18-17(25-15)19-11(3)22;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);6-9H,1-5H3,(H2,20,24)(H,22,23);4-8H,1-3H3,(H,21,22)(H,19,20,23);5-8H,3-4H2,1-2H3,(H2,18,23)(H2,19,20)(H,21,22);5-8H,1-4H3,(H,20,21)(H,18,19,22);3-6H,1-2H3,(H,21,22)(H,19,20,23)
• InChIKey: AGCKOJROQLNJSH-UHFFFAOYSA-N
• XLogP: 27.71
• TPSA: 548.61 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2361.00
LogP ≤ 5	27.71
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-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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-methyl-1-benzofuran-7-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 157104120) 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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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(N)nc2C)cs1.CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(C)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)(C)C)n2)s1.

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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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 AGCKOJROQLNJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2.C19H22N4O2S2.C18H16N4O2S2.C17H19N5OS2.C17H18N4O2S2.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;1-10-16(27-11(2)21-10)14-9-26-18(23-14)22-13-8-12(17(20)24)6-7-15(13)25-19(3,4)5;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;1-3-4-10-5-6-11(15(18)23)7-12(10)21-17-22-13(8-24-17)14-9(2)20-16(19)25-14;1-9-5-6-14(23-4)12(7-9)20-16-21-13(8-24-16)15-10(2)18-17(25-15)19-11(3)22;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);6-9H,1-5H3,(H2,20,24)(H,22,23);4-8H,1-3H3,(H,21,22)(H,19,20,23);5-8H,3-4H2,1-2H3,(H2,18,23)(H2,19,20)(H,21,22);5-8H,1-4H3,(H,20,21)(H,18,19,22);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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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 2361.00 g/mol, XLogP of 27.71, 31 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-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-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;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 157104120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).