4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

C96H102N20O12S10 — CID 159076811

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 159076811) has the molecular formula C96H102N20O12S10 and a molecular weight of 2048.67 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 159076811
• Molecular Formula: C96H102N20O12S10
• Molecular Weight: 2048.67 g/mol
• Exact Mass: 2046.52
• IUPAC Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
• SMILES: CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(C)nc2C)cs1.CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(N)nc2C)cs1.CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1.CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)c1
• InChI: InChI=1S/C20H22N4O4S2.C20H20N4OS2.C19H19N5OS2.C19H21N3O3S2.C18H20N4O3S2/c1-5-27-16-8-7-13(18(26)28-6-2)9-14(16)23-19-24-15(10-29-19)17-11(3)21-20(30-17)22-12(4)25;1-4-5-14-6-7-15(19-21-8-9-25-19)10-16(14)23-20-24-17(11-26-20)18-12(2)22-13(3)27-18;1-3-4-12-5-6-13(17-21-7-8-25-17)9-14(12)23-19-24-15(10-26-19)16-11(2)22-18(20)27-16;1-5-24-16-8-7-13(18(23)25-6-2)9-14(16)21-19-22-15(10-26-19)17-11(3)20-12(4)27-17;1-4-24-14-7-6-11(16(23)25-5-2)8-12(14)21-18-22-13(9-26-18)15-10(3)20-17(19)27-15/h7-10H,5-6H2,1-4H3,(H,23,24)(H,21,22,25);6-11H,4-5H2,1-3H3,(H,23,24);5-10H,3-4H2,1-2H3,(H2,20,22)(H,23,24);7-10H,5-6H2,1-4H3,(H,21,22);6-9H,4-5H2,1-3H3,(H2,19,20)(H,21,22)
• InChIKey: KAIUUTDNHUXJGG-UHFFFAOYSA-N
• XLogP: 26.27
• TPSA: 428.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2048.67
LogP ≤ 5	26.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 159076811) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(C)nc2C)cs1.CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(N)nc2C)cs1.CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1.CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)c1.

What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

The InChIKey is KAIUUTDNHUXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2.C20H20N4OS2.C19H19N5OS2.C19H21N3O3S2.C18H20N4O3S2/c1-5-27-16-8-7-13(18(26)28-6-2)9-14(16)23-19-24-15(10-29-19)17-11(3)21-20(30-17)22-12(4)25;1-4-5-14-6-7-15(19-21-8-9-25-19)10-16(14)23-20-24-17(11-26-20)18-12(2)22-13(3)27-18;1-3-4-12-5-6-13(17-21-7-8-25-17)9-14(12)23-19-24-15(10-26-19)16-11(2)22-18(20)27-16;1-5-24-16-8-7-13(18(23)25-6-2)9-14(16)21-19-22-15(10-26-19)17-11(3)20-12(4)27-17;1-4-24-14-7-6-11(16(23)25-5-2)8-12(14)21-18-22-13(9-26-18)15-10(3)20-17(19)27-15/h7-10H,5-6H2,1-4H3,(H,23,24)(H,21,22,25);6-11H,4-5H2,1-3H3,(H,23,24);5-10H,3-4H2,1-2H3,(H2,20,22)(H,23,24);7-10H,5-6H2,1-4H3,(H,21,22);6-9H,4-5H2,1-3H3,(H2,19,20)(H,21,22).

What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 2048.67 g/mol, XLogP of 26.27, 34 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[5-(1,3-oxazol-2-yl)-2-propylphenyl]-1,3-thiazol-2-amine;ethyl 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;ethyl 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-ethoxybenzoate;4-methyl-5-[2-[5-(1,3-oxazol-2-yl)-2-propylanilino]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).