5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

C89H61BBrN8O6S4- — CID 165088307

About 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 165088307) has the molecular formula C89H61BBrN8O6S4- and a molecular weight of 1557.50 g/mol. Its IUPAC name is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 165088307
• Molecular Formula: C89H61BBrN8O6S4-
• Molecular Weight: 1557.50 g/mol
• Exact Mass: 1555.29
• IUPAC Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#C
• InChI: InChI=1S/C23H22N4O2S2.C19H4.C18H.C15H19BN2O3S.C14H15BrN2OS/c1-13(28)25-23-27-19-8-7-14(10-20(19)31-23)15-9-17-18(12-30-22(17)24-11-15)21(29)26-16-5-3-2-4-6-16;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;15-9-6-11-12(8-19-14(11)16-7-9)13(18)17-10-4-2-1-3-5-10/h7-12,16H,2-6H2,1H3,(H,26,29)(H,25,27,28);1H,2H3;1H;6-8H,1-5H3,(H,17,18,19);6-8,10H,1-5H2,(H,17,18)/q;;-1
• InChIKey: WGQIOWHUALNNMD-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 186.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.50
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 165088307) is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is C#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#C.

What is the InChIKey of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is WGQIOWHUALNNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2.C19H4.C18H.C15H19BN2O3S.C14H15BrN2OS/c1-13(28)25-23-27-19-8-7-14(10-20(19)31-23)15-9-17-18(12-30-22(17)24-11-15)21(29)26-16-5-3-2-4-6-16;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;15-9-6-11-12(8-19-14(11)16-7-9)13(18)17-10-4-2-1-3-5-10/h7-12,16H,2-6H2,1H3,(H,26,29)(H,25,27,28);1H,2H3;1H;6-8H,1-5H3,(H,17,18,19);6-8,10H,1-5H2,(H,17,18)/q;;-1;;.

What are the key properties of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 1557.50 g/mol, XLogP of 13.17, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;nonadeca-1,3,5,7,9,11,13,15,17-nonayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 165088307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).