3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C80H81N25O14S10 — CID 159017343

About 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 159017343) has the molecular formula C80H81N25O14S10 and a molecular weight of 1937.36 g/mol. Its IUPAC name is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 159017343
• Molecular Formula: C80H81N25O14S10
• Molecular Weight: 1937.36 g/mol
• Exact Mass: 1935.36
• IUPAC Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CNC(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.CNC(=O)c1ccc(OC)c(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)c1.COc1ccc(N)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
• InChI: InChI=1S/C18H19N5O3S2.C16H15N5O4S2.2C16H17N5O2S2.C14H13N5O3S2/c1-9-15(28-18(20-9)21-10(2)24)13-8-27-17(23-13)22-12-7-11(16(25)19-3)5-6-14(12)26-4;1-8-14(27-16(17-8)18-9(2)22)12-7-26-15(20-12)19-11-6-10(21(23)24)4-5-13(11)25-3;1-8-13(25-15(17)19-8)11-7-24-16(21-11)20-10-6-9(14(22)18-2)4-5-12(10)23-3;1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3;1-7-12(24-13(15)16-7)10-6-23-14(18-10)17-9-5-8(19(20)21)3-4-11(9)22-2/h5-8H,1-4H3,(H,19,25)(H,22,23)(H,20,21,24);4-7H,1-3H3,(H,19,20)(H,17,18,22);4-7H,1-3H3,(H2,17,19)(H,18,22)(H,20,21);4-7H,17H2,1-3H3,(H,20,21)(H,18,19,22);3-6H,1-2H3,(H2,15,16)(H,17,18)
• InChIKey: JTGIUBRIMUGHQJ-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 545.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.36
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 159017343) is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CNC(=O)c1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.CNC(=O)c1ccc(OC)c(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)c1.COc1ccc(N)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2sc(N)nc2C)cs1.COc1ccc([N+](=O)[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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is JTGIUBRIMUGHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2.C16H15N5O4S2.2C16H17N5O2S2.C14H13N5O3S2/c1-9-15(28-18(20-9)21-10(2)24)13-8-27-17(23-13)22-12-7-11(16(25)19-3)5-6-14(12)26-4;1-8-14(27-16(17-8)18-9(2)22)12-7-26-15(20-12)19-11-6-10(21(23)24)4-5-13(11)25-3;1-8-13(25-15(17)19-8)11-7-24-16(21-11)20-10-6-9(14(22)18-2)4-5-12(10)23-3;1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3;1-7-12(24-13(15)16-7)10-6-23-14(18-10)17-9-5-8(19(20)21)3-4-11(9)22-2/h5-8H,1-4H3,(H,19,25)(H,22,23)(H,20,21,24);4-7H,1-3H3,(H,19,20)(H,17,18,22);4-7H,1-3H3,(H2,17,19)(H,18,22)(H,20,21);4-7H,17H2,1-3H3,(H,20,21)(H,18,19,22);3-6H,1-2H3,(H2,15,16)(H,17,18).

What are the key properties of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 1937.36 g/mol, XLogP of 18.79, 27 rotatable bonds, 13 hydrogen bond donors, and 42 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-methoxy-N-methylbenzamide;N-[5-[2-(5-amino-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-methylbenzamide;5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;N-[5-[2-(2-methoxy-5-nitroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 159017343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).