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

C95H59BBrN10O6S4- — CID 165038014

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

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (PubChem CID 165038014) has the molecular formula C95H59BBrN10O6S4- and a molecular weight of 1655.56 g/mol. Its IUPAC name is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

Molecular Properties

• Compound Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
• PubChem CID: 165038014
• Molecular Formula: C95H59BBrN10O6S4-
• Molecular Weight: 1655.56 g/mol
• Exact Mass: 1653.28
• IUPAC Name: 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;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#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC(=O)Nc1nc2ccc(-c3cnc4snc(C(=O)NC5CCCCC5)c4c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.O=C(NC1CCCCC1)c1nsc2ncc(Br)cc12
• InChI: InChI=1S/C23H3.C22H21N5O2S2.C22H2.C15H19BN2O3S.C13H14BrN3OS/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-12(28)24-22-26-17-8-7-13(10-18(17)30-22)14-9-16-19(27-31-21(16)23-11-14)20(29)25-15-5-3-2-4-6-15;1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;14-8-6-10-11(17-19-13(10)15-7-8)12(18)16-9-4-2-1-3-5-9/h1H,2H2;7-11,15H,2-6H2,1H3,(H,25,29)(H,24,26,28);1-2H;6-8H,1-5H3,(H,17,18,19);6-7,9H,1-5H2,(H,16,18)/q-1
• InChIKey: NRMMDEJMYPUBNY-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 212.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.56
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (CID 165038014) is 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

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

The canonical SMILES for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;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#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].CC(=O)Nc1nc2ccc(-c3cnc4snc(C(=O)NC5CCCCC5)c4c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.O=C(NC1CCCCC1)c1nsc2ncc(Br)cc12.

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

The InChIKey is NRMMDEJMYPUBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H3.C22H21N5O2S2.C22H2.C15H19BN2O3S.C13H14BrN3OS/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-12(28)24-22-26-17-8-7-13(10-18(17)30-22)14-9-16-19(27-31-21(16)23-11-14)20(29)25-15-5-3-2-4-6-15;1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;14-8-6-10-11(17-19-13(10)15-7-8)12(18)16-9-4-2-1-3-5-9/h1H,2H2;7-11,15H,2-6H2,1H3,(H,25,29)(H,24,26,28);1-2H;6-8H,1-5H3,(H,17,18,19);6-7,9H,1-5H2,(H,16,18)/q-1;;;;.

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

5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne has a molecular weight of 1655.56 g/mol, XLogP of 11.83, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;5-bromo-N-cyclohexyl-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is sourced from PubChem (CID 165038014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).