5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C205H110B3Br2N10O13S5-3 — CID 165043879

About 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165043879) has the molecular formula C205H110B3Br2N10O13S5-3 and a molecular weight of 3273.77 g/mol. Its IUPAC name is 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 165043879
• Molecular Formula: C205H110B3Br2N10O13S5-3
• Molecular Weight: 3273.77 g/mol
• Exact Mass: 3269.55
• IUPAC Name: 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3scc(C(=O)NC4CCCCC4)c3c2)OC1(C)C.CCOC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CCOC(=O)Nc1nc2ccc(Br)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#C.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
• InChI: InChI=1S/C39H4.C39H3.C29H3.C24H24N4O3S2.C20H27BN2O3S.C18H.C14H15BrN2OS.C12H24B2O4.C10H9BrN2O2S/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-31-24(30)28-23-27-19-9-8-14(11-20(19)33-23)15-10-17-18(13-32-22(17)25-12-15)21(29)26-16-6-4-3-5-7-16;1-19(2)20(3,4)26-21(25-19)13-10-15-16(12-27-18(15)22-11-13)17(24)23-14-8-6-5-7-9-14;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;15-9-6-11-12(8-19-14(11)16-7-9)13(18)17-10-4-2-1-3-5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-15-10(14)13-9-12-7-4-3-6(11)5-8(7)16-9/h1H,2H3;1H,2H2;1H3;8-13,16H,2-7H2,1H3,(H,26,29)(H,27,28,30);10-12,14H,5-9H2,1-4H3,(H,23,24);1H;6-8,10H,1-5H2,(H,17,18);1-8H3;3-5H,2H2,1H3,(H,12,13,14)/q;2*-1;;;-1
• InChIKey: OOOSOWQRAVYQMO-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 283.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3273.77
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

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-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 165043879) is 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3scc(C(=O)NC4CCCCC4)c3c2)OC1(C)C.CCOC(=O)Nc1nc2ccc(-c3cnc4scc(C(=O)NC5CCCCC5)c4c3)cc2s1.CCOC(=O)Nc1nc2ccc(Br)cc2s1.O=C(NC1CCCCC1)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#C.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.

What is the InChIKey of 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is OOOSOWQRAVYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H4.C39H3.C29H3.C24H24N4O3S2.C20H27BN2O3S.C18H.C14H15BrN2OS.C12H24B2O4.C10H9BrN2O2S/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-31-24(30)28-23-27-19-9-8-14(11-20(19)33-23)15-10-17-18(13-32-22(17)25-12-15)21(29)26-16-6-4-3-5-7-16;1-19(2)20(3,4)26-21(25-19)13-10-15-16(12-27-18(15)22-11-13)17(24)23-14-8-6-5-7-9-14;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;15-9-6-11-12(8-19-14(11)16-7-9)13(18)17-10-4-2-1-3-5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-15-10(14)13-9-12-7-4-3-6(11)5-8(7)16-9/h1H,2H3;1H,2H2;1H3;8-13,16H,2-7H2,1H3,(H,26,29)(H,27,28,30);10-12,14H,5-9H2,1-4H3,(H,23,24);1H;6-8,10H,1-5H2,(H,17,18);1-8H3;3-5H,2H2,1H3,(H,12,13,14)/q;2*-1;;;-1;;;.

What are the key properties of 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3273.77 g/mol, XLogP of 21.95, 13 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine-3-carboxamide;ethyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;ethyl N-[6-[3-(cyclohexylcarbamoyl)thieno[2,3-b]pyridin-5-yl]-1,3-benzothiazol-2-yl]carbamate;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octadeca-1,3,5,7,9,11,13,15,17-nonayne;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165043879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).