5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C146H74BBr2F6N10O8S5- — CID 164993273

About 5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 164993273) has the molecular formula C146H74BBr2F6N10O8S5- and a molecular weight of 2541.20 g/mol. Its IUPAC name is 5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;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-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• PubChem CID: 164993273
• Molecular Formula: C146H74BBr2F6N10O8S5-
• Molecular Weight: 2541.20 g/mol
• Exact Mass: 2537.27
• IUPAC Name: 5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;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#C.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCC(F)(F)CC1.O=C(NC1CCC(F)(F)CC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCC(F)(F)CC1)c1csc2ncc(Br)cc12.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#C
• InChI: InChI=1S/C38H2.C38H.C25H22F2N4O2S2.C17H21BN2O3S.C14H13BrF2N2OS.C8H4BrNO2S.C6H11F2N/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;26-25(27)7-5-16(6-8-25)29-22(33)18-12-34-23-17(18)9-15(11-28-23)14-3-4-19-20(10-14)35-24(30-19)31-21(32)13-1-2-13;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;15-8-5-10-11(7-21-13(10)18-6-8)12(20)19-9-1-3-14(16,17)4-2-9;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;7-6(8)3-1-5(9)2-4-6/h1-2H;1H;3-4,9-13,16H,1-2,5-8H2,(H,29,33)(H,30,31,32);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,1-4H2,(H,19,20);1-3H,(H,11,12);5H,1-4,9H2/q;-1
• InChIKey: HEBWEPCGKSIPTM-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 262.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.20
LogP ≤ 5	18.40
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-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;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-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 164993273) is 5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;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-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;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-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;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#C.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCC(F)(F)CC1.O=C(NC1CCC(F)(F)CC1)c1csc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(NC1CCC(F)(F)CC1)c1csc2ncc(Br)cc12.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#C.

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

The InChIKey is HEBWEPCGKSIPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H2.C38H.C25H22F2N4O2S2.C17H21BN2O3S.C14H13BrF2N2OS.C8H4BrNO2S.C6H11F2N/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;26-25(27)7-5-16(6-8-25)29-22(33)18-12-34-23-17(18)9-15(11-28-23)14-3-4-19-20(10-14)35-24(30-19)31-21(32)13-1-2-13;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;15-8-5-10-11(7-21-13(10)18-6-8)12(20)19-9-1-3-14(16,17)4-2-9;9-4-1-5-6(8(11)12)3-13-7(5)10-2-4;7-6(8)3-1-5(9)2-4-6/h1-2H;1H;3-4,9-13,16H,1-2,5-8H2,(H,29,33)(H,30,31,32);7-10H,5-6H2,1-4H3,(H,19,20,21);5-7,9H,1-4H2,(H,19,20);1-3H,(H,11,12);5H,1-4,9H2/q;-1;;;;;.

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

5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 2541.20 g/mol, XLogP of 18.40, 11 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;5-bromothieno[2,3-b]pyridine-3-carboxylic acid;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(4,4-difluorocyclohexyl)thieno[2,3-b]pyridine-3-carboxamide;4,4-difluorocyclohexan-1-amine;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164993273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).