5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide

C106H80BBr2N10O8S5- — CID 164951811

About 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide

5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide (PubChem CID 164951811) has the molecular formula C106H80BBr2N10O8S5- and a molecular weight of 1952.82 g/mol. Its IUPAC name is 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide
• PubChem CID: 164951811
• Molecular Formula: C106H80BBr2N10O8S5-
• Molecular Weight: 1952.82 g/mol
• Exact Mass: 1949.32
• IUPAC Name: 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#C.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCCCC1.O=C(NC1CCCCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCCCC1)c1csc2ncc(Br)cc12.O=C(O)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#C
• InChI: InChI=1S/C25H24N4O2S2.C18H2.C18H.C17H21BN2O3S.C14H15BrN2OS.C8H4BrNO2S.C6H13N/c30-22(14-6-7-14)29-25-28-20-9-8-15(11-21(20)33-25)16-10-18-19(13-32-24(18)26-12-16)23(31)27-17-4-2-1-3-5-17;2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;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;15-9-6-11-12(8-19-14(11)16-7-9)13(18)17-10-4-2-1-3-5-10;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;7-6-4-2-1-3-5-6/h8-14,17H,1-7H2,(H,27,31)(H,28,29,30);1-2H;1H;7-10H,5-6H2,1-4H3,(H,19,20,21);6-8,10H,1-5H2,(H,17,18);1-3H,(H,11,12);6H,1-5,7H2/q;;-1
• InChIKey: AQAXBMIVRYJUQJ-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 262.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.82
LogP ≤ 5	17.59
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-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide?

The IUPAC name of 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide (CID 164951811) is 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide.

What is the SMILES notation for 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide?

The canonical SMILES for 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide is C#CC#CC#CC#CC#CC#CC#CC#CC#C.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCCCC1.O=C(NC1CCCCC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCCCC1)c1csc2ncc(Br)cc12.O=C(O)c1csc2ncc(Br)cc12.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#C.

What is the InChIKey of 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide?

The InChIKey is AQAXBMIVRYJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S2.C18H2.C18H.C17H21BN2O3S.C14H15BrN2OS.C8H4BrNO2S.C6H13N/c30-22(14-6-7-14)29-25-28-20-9-8-15(11-21(20)33-25)16-10-18-19(13-32-24(18)26-12-16)23(31)27-17-4-2-1-3-5-17;2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;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;15-9-6-11-12(8-19-14(11)16-7-9)13(18)17-10-4-2-1-3-5-10;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;7-6-4-2-1-3-5-6/h8-14,17H,1-7H2,(H,27,31)(H,28,29,30);1-2H;1H;7-10H,5-6H2,1-4H3,(H,19,20,21);6-8,10H,1-5H2,(H,17,18);1-3H,(H,11,12);6H,1-5,7H2/q;;-1;;;;.

What are the key properties of 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide?

5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide has a molecular weight of 1952.82 g/mol, XLogP of 17.59, 11 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;cyclohexanamine;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;octadeca-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]cyclopropanecarboxamide is sourced from PubChem (CID 164951811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).