3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide

C66H65N15O19S6 — CID 160873660

About 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide

3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 160873660) has the molecular formula C66H65N15O19S6 and a molecular weight of 1564.73 g/mol. Its IUPAC name is 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
• PubChem CID: 160873660
• Molecular Formula: C66H65N15O19S6
• Molecular Weight: 1564.73 g/mol
• Exact Mass: 1563.29
• IUPAC Name: 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
• SMILES: COC(=O)c1cc(O)cc([N+](=O)[O-])c1.Cc1ncsc1CCOc1cc(C(=O)Nc2nncs2)cc([N+](=O)[O-])c1.Cc1ncsc1CCOc1cc(C(=O)O)cc(N(C)C)c1.Cc1ncsc1CCOc1cc(C(=O)O)cc([N+](=O)[O-])c1.Cc1ncsc1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1
• InChI: InChI=1S/C15H13N5O4S2.C15H15N5O2S2.C15H18N2O3S.C13H12N2O5S.C8H7NO5/c1-9-13(25-7-16-9)2-3-24-12-5-10(4-11(6-12)20(22)23)14(21)18-15-19-17-8-26-15;1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15;1-10-14(21-9-16-10)4-5-20-13-7-11(15(18)19)6-12(8-13)17(2)3;1-8-12(21-7-14-8)2-3-20-11-5-9(13(16)17)4-10(6-11)15(18)19;1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h4-8H,2-3H2,1H3,(H,18,19,21);4-8H,2-3,16H2,1H3,(H,19,20,21);6-9H,4-5H2,1-3H3,(H,18,19);4-7H,2-3H2,1H3,(H,16,17);2-4,10H,1H3
• InChIKey: SMCBLBAVPWVAOK-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 478.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1564.73
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'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-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?

The IUPAC name of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 160873660) is 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

What is the SMILES notation for 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?

The canonical SMILES for 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is COC(=O)c1cc(O)cc([N+](=O)[O-])c1.Cc1ncsc1CCOc1cc(C(=O)Nc2nncs2)cc([N+](=O)[O-])c1.Cc1ncsc1CCOc1cc(C(=O)O)cc(N(C)C)c1.Cc1ncsc1CCOc1cc(C(=O)O)cc([N+](=O)[O-])c1.Cc1ncsc1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1.

What is the InChIKey of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?

The InChIKey is SMCBLBAVPWVAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S2.C15H15N5O2S2.C15H18N2O3S.C13H12N2O5S.C8H7NO5/c1-9-13(25-7-16-9)2-3-24-12-5-10(4-11(6-12)20(22)23)14(21)18-15-19-17-8-26-15;1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15;1-10-14(21-9-16-10)4-5-20-13-7-11(15(18)19)6-12(8-13)17(2)3;1-8-12(21-7-14-8)2-3-20-11-5-9(13(16)17)4-10(6-11)15(18)19;1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h4-8H,2-3H2,1H3,(H,18,19,21);4-8H,2-3,16H2,1H3,(H,19,20,21);6-9H,4-5H2,1-3H3,(H,18,19);4-7H,2-3H2,1H3,(H,16,17);2-4,10H,1H3.

What are the key properties of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?

3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 1564.73 g/mol, XLogP of 12.45, 27 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;methyl 3-hydroxy-5-nitrobenzoate;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitrobenzoic acid;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 160873660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).