5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C141H84BBr2N10O8S5- — CID 164961331

About 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 164961331) has the molecular formula C141H84BBr2N10O8S5- and a molecular weight of 2377.24 g/mol. Its IUPAC name is 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• PubChem CID: 164961331
• Molecular Formula: C141H84BBr2N10O8S5-
• Molecular Weight: 2377.24 g/mol
• Exact Mass: 2373.35
• IUPAC Name: 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CCC(CC)NC(=O)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCC(CC)NC(=O)c1csc2ncc(Br)cc12.CCC(N)CC.O=C(O)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
• InChI: InChI=1S/C37H4.C37H3.C24H24N4O2S2.C17H21BN2O3S.C13H15BrN2OS.C8H4BrNO2S.C5H13N/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-16(4-2)26-22(30)18-12-31-23-17(18)9-15(11-25-23)14-7-8-19-20(10-14)32-24(27-19)28-21(29)13-5-6-13;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;1-3-9(4-2)16-12(17)11-7-18-13-10(11)5-8(14)6-15-13;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;1-3-5(6)4-2/h1H,2H3;1H3;7-13,16H,3-6H2,1-2H3,(H,26,30)(H,27,28,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,3-4H2,1-2H3,(H,16,17);1-3H,(H,11,12);5H,3-4,6H2,1-2H3/q;-1
• InChIKey: BWQMYZOFIVWZHF-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 262.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.24
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

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-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The IUPAC name of 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 164961331) is 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CCC(CC)NC(=O)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CCC(CC)NC(=O)c1csc2ncc(Br)cc12.CCC(N)CC.O=C(O)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.

What is the InChIKey of 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The InChIKey is BWQMYZOFIVWZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H4.C37H3.C24H24N4O2S2.C17H21BN2O3S.C13H15BrN2OS.C8H4BrNO2S.C5H13N/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-16(4-2)26-22(30)18-12-31-23-17(18)9-15(11-25-23)14-7-8-19-20(10-14)32-24(27-19)28-21(29)13-5-6-13;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;1-3-9(4-2)16-12(17)11-7-18-13-10(11)5-8(14)6-15-13;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;1-3-5(6)4-2/h1H,2H3;1H3;7-13,16H,3-6H2,1-2H3,(H,26,30)(H,27,28,29);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,3-4H2,1-2H3,(H,16,17);1-3H,(H,11,12);5H,3-4,6H2,1-2H3/q;-1;;;;;.

What are the key properties of 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 2377.24 g/mol, XLogP of 18.00, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylthieno[2,3-b]pyridine-3-carboxamide;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;pentan-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164961331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).