5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

C113H81BBr2N13O8S5- — CID 165094409

About 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (PubChem CID 165094409) has the molecular formula C113H81BBr2N13O8S5- and a molecular weight of 2079.93 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

Molecular Properties

• Compound Name: 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
• PubChem CID: 165094409
• Molecular Formula: C113H81BBr2N13O8S5-
• Molecular Weight: 2079.93 g/mol
• Exact Mass: 2076.34
• IUPAC Name: 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCCCC1.O=C(NC1CCCCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCCCC1)c1nsc2ncc(Br)cc12.O=C(O)c1nsc2ncc(Br)cc12
• InChI: InChI=1S/C24H23N5O2S2.C23H4.C23H3.C17H21BN2O3S.C13H14BrN3OS.C7H3BrN2O2S.C6H13N/c30-21(13-6-7-13)28-24-27-18-9-8-14(11-19(18)32-24)15-10-17-20(29-33-23(17)25-12-15)22(31)26-16-4-2-1-3-5-16;2*1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;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;14-8-6-10-11(17-19-13(10)15-7-8)12(18)16-9-4-2-1-3-5-9;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;7-6-4-2-1-3-5-6/h8-13,16H,1-7H2,(H,26,31)(H,27,28,30);1H,2H3;1H,2H2;7-10H,5-6H2,1-4H3,(H,19,20,21);6-7,9H,1-5H2,(H,16,18);1-2H,(H,11,12);6H,1-5,7H2/q;;-1
• InChIKey: XGFUNOXHWNQTRQ-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 301.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2079.93
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

The IUPAC name of 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (CID 165094409) is 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

What is the SMILES notation for 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

The canonical SMILES for 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCCCC1.O=C(NC1CCCCC1)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCCCC1)c1nsc2ncc(Br)cc12.O=C(O)c1nsc2ncc(Br)cc12.

What is the InChIKey of 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

The InChIKey is XGFUNOXHWNQTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S2.C23H4.C23H3.C17H21BN2O3S.C13H14BrN3OS.C7H3BrN2O2S.C6H13N/c30-21(13-6-7-13)28-24-27-18-9-8-14(11-19(18)32-24)15-10-17-20(29-33-23(17)25-12-15)22(31)26-16-4-2-1-3-5-16;2*1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;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;14-8-6-10-11(17-19-13(10)15-7-8)12(18)16-9-4-2-1-3-5-9;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;7-6-4-2-1-3-5-6/h8-13,16H,1-7H2,(H,26,31)(H,27,28,30);1H,2H3;1H,2H2;7-10H,5-6H2,1-4H3,(H,19,20,21);6-7,9H,1-5H2,(H,16,18);1-2H,(H,11,12);6H,1-5,7H2/q;;-1;;;;.

What are the key properties of 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne has a molecular weight of 2079.93 g/mol, XLogP of 16.43, 11 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is sourced from PubChem (CID 165094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).