5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C225H146BBr2N22O15S7-5 — CID 165073576

IUPAC5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESC.C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(CN(C)C(=O)OC(C)(C)C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CC(CN(C)C(=O)OC(C)(C)C)NC(=O)c1nsc2ncc(Br)cc12.CC(N)CN(C)C(=O)OC(C)(C)C.CC1(C)CB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CNCC(C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(O)c1nsc2ncc(Br)cc12.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-]
InChIInChI=1S/C32H6.C32H5.C32H4.C28H4.C27H30N6O4S2.C22H22N6O2S2.C18H23BN2O2S.C16H21BrN4O3S.C9H20N2O2.C7H3BrN2O2S.2CH4/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14(13-33(5)26(36)37-27(2,3)4)29-23(35)21-18-10-17(12-28-24(18)39-32-21)16-8-9-19-20(11-16)38-25(30-19)31-22(34)15-6-7-15;1-11(9-23-2)25-20(30)18-15-7-14(10-24-21(15)32-28-18)13-5-6-16-17(8-13)31-22(26-16)27-19(29)12-3-4-12;1-17(2)10-19(23-18(17,3)4)12-7-8-13-14(9-12)24-16(20-13)21-15(22)11-5-6-11;1-9(8-21(5)15(23)24-16(2,3)4)19-13(22)12-11-6-10(17)7-18-14(11)25-20-12;1-7(10)6-11(5)8(12)13-9(2,3)4;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;;/h1-2H3;1H2,2H3;1-2H2;1-2H2;8-12,14-15H,6-7,13H2,1-5H3,(H,29,35)(H,30,31,34);5-8,10-12,23H,3-4,9H2,1-2H3,(H,25,30)(H,26,27,29);7-9,11H,5-6,10H2,1-4H3,(H,20,21,22);6-7,9H,8H2,1-5H3,(H,19,22);7H,6,10H2,1-5H3;1-2H,(H,11,12);2*1H4/q;-1;2*-2;;;;;;;;
InChIKeyTXWWWAQUCOMEFD-UHFFFAOYSA-N
MW3792.87 g/mol
LogP24.07
Rot. Bonds24

About 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 165073576) has the molecular formula C225H146BBr2N22O15S7-5 and a molecular weight of 3792.87 g/mol. Its IUPAC name is 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID165073576
Molecular FormulaC225H146BBr2N22O15S7-5
Molecular Weight3792.87 g/mol
Exact Mass3787.79
IUPAC Name5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESC.C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(CN(C)C(=O)OC(C)(C)C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CC(CN(C)C(=O)OC(C)(C)C)NC(=O)c1nsc2ncc(Br)cc12.CC(N)CN(C)C(=O)OC(C)(C)C.CC1(C)CB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CNCC(C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(O)c1nsc2ncc(Br)cc12.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-]
InChIInChI=1S/C32H6.C32H5.C32H4.C28H4.C27H30N6O4S2.C22H22N6O2S2.C18H23BN2O2S.C16H21BrN4O3S.C9H20N2O2.C7H3BrN2O2S.2CH4/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14(13-33(5)26(36)37-27(2,3)4)29-23(35)21-18-10-17(12-28-24(18)39-32-21)16-8-9-19-20(11-16)38-25(30-19)31-22(34)15-6-7-15;1-11(9-23-2)25-20(30)18-15-7-14(10-24-21(15)32-28-18)13-5-6-16-17(8-13)31-22(26-16)27-19(29)12-3-4-12;1-17(2)10-19(23-18(17,3)4)12-7-8-13-14(9-12)24-16(20-13)21-15(22)11-5-6-11;1-9(8-21(5)15(23)24-16(2,3)4)19-13(22)12-11-6-10(17)7-18-14(11)25-20-12;1-7(10)6-11(5)8(12)13-9(2,3)4;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;;/h1-2H3;1H2,2H3;1-2H2;1-2H2;8-12,14-15H,6-7,13H2,1-5H3,(H,29,35)(H,30,31,34);5-8,10-12,23H,3-4,9H2,1-2H3,(H,25,30)(H,26,27,29);7-9,11H,5-6,10H2,1-4H3,(H,20,21,22);6-7,9H,8H2,1-5H3,(H,19,22);7H,6,10H2,1-5H3;1-2H,(H,11,12);2*1H4/q;-1;2*-2;;;;;;;;
InChIKeyTXWWWAQUCOMEFD-UHFFFAOYSA-N
XLogP24.07
TPSA489.59 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms272
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003792.87
LogP ≤ 524.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 165073576) is 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is C.C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(CN(C)C(=O)OC(C)(C)C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.CC(CN(C)C(=O)OC(C)(C)C)NC(=O)c1nsc2ncc(Br)cc12.CC(N)CN(C)C(=O)OC(C)(C)C.CC1(C)CB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CNCC(C)NC(=O)c1nsc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc12.O=C(O)c1nsc2ncc(Br)cc12.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].
What is the InChIKey of 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is TXWWWAQUCOMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H6.C32H5.C32H4.C28H4.C27H30N6O4S2.C22H22N6O2S2.C18H23BN2O2S.C16H21BrN4O3S.C9H20N2O2.C7H3BrN2O2S.2CH4/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-14(13-33(5)26(36)37-27(2,3)4)29-23(35)21-18-10-17(12-28-24(18)39-32-21)16-8-9-19-20(11-16)38-25(30-19)31-22(34)15-6-7-15;1-11(9-23-2)25-20(30)18-15-7-14(10-24-21(15)32-28-18)13-5-6-16-17(8-13)31-22(26-16)27-19(29)12-3-4-12;1-17(2)10-19(23-18(17,3)4)12-7-8-13-14(9-12)24-16(20-13)21-15(22)11-5-6-11;1-9(8-21(5)15(23)24-16(2,3)4)19-13(22)12-11-6-10(17)7-18-14(11)25-20-12;1-7(10)6-11(5)8(12)13-9(2,3)4;8-3-1-4-5(7(11)12)10-13-6(4)9-2-3;;/h1-2H3;1H2,2H3;1-2H2;1-2H2;8-12,14-15H,6-7,13H2,1-5H3,(H,29,35)(H,30,31,34);5-8,10-12,23H,3-4,9H2,1-2H3,(H,25,30)(H,26,27,29);7-9,11H,5-6,10H2,1-4H3,(H,20,21,22);6-7,9H,8H2,1-5H3,(H,19,22);7H,6,10H2,1-5H3;1-2H,(H,11,12);2*1H4/q;-1;2*-2;;;;;;;;.
What are the key properties of 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 3792.87 g/mol, XLogP of 24.07, 24 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carboxylic acid;tert-butyl N-(2-aminopropyl)-N-methylcarbamate;tert-butyl N-[2-[(5-bromo-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl)amino]propyl]-N-methylcarbamate;tert-butyl N-[2-[[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carbonyl]amino]propyl]-N-methylcarbamate;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[1-(methylamino)propan-2-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;methane;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;N-[6-(4,4,5,5-tetramethyloxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165073576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).