5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne

C153H84BBr2N16O8S5- — CID 165047722

About 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne

5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne (PubChem CID 165047722) has the molecular formula C153H84BBr2N16O8S5- and a molecular weight of 2605.41 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne.

Molecular Properties

• Compound Name: 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne
• PubChem CID: 165047722
• Molecular Formula: C153H84BBr2N16O8S5-
• Molecular Weight: 2605.41 g/mol
• Exact Mass: 2601.37
• IUPAC Name: 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne
• SMILES: C#CC#CC#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#CC#CC#C[CH2-].CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CN1CCCC(N)C1.CN1CCCC(NC(=O)c2nsc3ncc(-c4ccc5nc(NC(=O)C6CC6)sc5c4)cc23)C1.CN1CCCC(NC(=O)c2nsc3ncc(Br)cc23)C1.O=C(O)c1nsc2ncc(Br)cc12
• InChI: InChI=1S/C43H4.C43H3.C24H24N6O2S2.C17H21BN2O3S.C13H15BrN4OS.C7H3BrN2O2S.C6H14N2/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-30-8-2-3-16(12-30)26-22(32)20-17-9-15(11-25-23(17)34-29-20)14-6-7-18-19(10-14)33-24(27-18)28-21(31)13-4-5-13;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;1-18-4-2-3-9(7-18)16-12(19)11-10-5-8(14)6-15-13(10)20-17-11;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;1-8-4-2-3-6(7)5-8/h1H,2H3;1H,2H2;6-7,9-11,13,16H,2-5,8,12H2,1H3,(H,26,32)(H,27,28,31);7-10H,5-6H2,1-4H3,(H,19,20,21);5-6,9H,2-4,7H2,1H3,(H,16,19);1-2H,(H,11,12);6H,2-5,7H2,1H3/q;-1
• InChIKey: PEAZGXIGMLUOEC-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 311.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2605.41
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

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-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne?

The IUPAC name of 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne (CID 165047722) is 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne.

What is the SMILES notation for 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne?

The canonical SMILES for 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne is C#CC#CC#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#CC#CC#C[CH2-].CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CN1CCCC(N)C1.CN1CCCC(NC(=O)c2nsc3ncc(-c4ccc5nc(NC(=O)C6CC6)sc5c4)cc23)C1.CN1CCCC(NC(=O)c2nsc3ncc(Br)cc23)C1.O=C(O)c1nsc2ncc(Br)cc12.

What is the InChIKey of 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne?

The InChIKey is PEAZGXIGMLUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H4.C43H3.C24H24N6O2S2.C17H21BN2O3S.C13H15BrN4OS.C7H3BrN2O2S.C6H14N2/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-30-8-2-3-16(12-30)26-22(32)20-17-9-15(11-25-23(17)34-29-20)14-6-7-18-19(10-14)33-24(27-18)28-21(31)13-4-5-13;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;1-18-4-2-3-9(7-18)16-12(19)11-10-5-8(14)6-15-13(10)20-17-11;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;1-8-4-2-3-6(7)5-8/h1H,2H3;1H,2H2;6-7,9-11,13,16H,2-5,8,12H2,1H3,(H,26,32)(H,27,28,31);7-10H,5-6H2,1-4H3,(H,19,20,21);5-6,9H,2-4,7H2,1H3,(H,16,19);1-2H,(H,11,12);6H,2-5,7H2,1H3/q;-1;;;;;.

What are the key properties of 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne?

5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne has a molecular weight of 2605.41 g/mol, XLogP of 12.78, 11 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1-methylpiperidin-3-yl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;1-methylpiperidin-3-amine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne;tritetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosayne is sourced from PubChem (CID 165047722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).