2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide

C107H147BBr2N28O17S5Si2 — CID 159472743

About 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide

2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 159472743) has the molecular formula C107H147BBr2N28O17S5Si2 and a molecular weight of 2484.66 g/mol. Its IUPAC name is 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 159472743
• Molecular Formula: C107H147BBr2N28O17S5Si2
• Molecular Weight: 2484.66 g/mol
• Exact Mass: 2480.81
• IUPAC Name: 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CN.CNC(=O)c1csc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)n1.CNC(=O)c1csc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.CNC(=O)c1csc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CNC(=O)c1csc(Br)n1.N#CCC(=O)O.O=C(O)c1csc(Br)n1
• InChI: InChI=1S/C29H49BN4O5Si.C28H42N6O4SSi.C20H21N7O2S.C17H20N6OS.C5H5BrN2OS.C4H2BrNO2S.C3H3NO2.CH5N/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-28(2,3)38-27(36)33-11-8-9-19(16-33)31-23-20-10-12-34(18-37-13-14-40(5,6)7)24(20)30-15-21(23)26-32-22(17-39-26)25(35)29-4;1-22-19(29)15-11-30-20(26-15)14-9-24-18-13(5-7-23-18)17(14)25-12-3-2-8-27(10-12)16(28)4-6-21;1-18-16(24)13-9-25-17(23-13)12-8-21-15-11(4-6-20-15)14(12)22-10-3-2-5-19-7-10;1-7-4(9)3-2-10-5(6)8-3;5-4-6-2(1-9-4)3(7)8;4-2-1-3(5)6;1-2/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10,12,15,17,19H,8-9,11,13-14,16,18H2,1-7H3,(H,29,35)(H,30,31);5,7,9,11-12H,2-4,8,10H2,1H3,(H,22,29)(H2,23,24,25);4,6,8-10,19H,2-3,5,7H2,1H3,(H,18,24)(H2,20,21,22);2H,1H3,(H,7,9);1H,(H,7,8);1H2,(H,5,6);2H2,1H3/t21-;19-;12-;10-;;;;/m1111..../s1
• InChIKey: LVZUDEHPWFWESY-ADMLRBOBSA-N
• XLogP: 18.10
• TPSA: 598.51 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2484.66
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide (CID 159472743) is 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CN.CNC(=O)c1csc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)n1.CNC(=O)c1csc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.CNC(=O)c1csc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CNC(=O)c1csc(Br)n1.N#CCC(=O)O.O=C(O)c1csc(Br)n1.

What is the InChIKey of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is LVZUDEHPWFWESY-ADMLRBOBSA-N. The full InChI is InChI=1S/C29H49BN4O5Si.C28H42N6O4SSi.C20H21N7O2S.C17H20N6OS.C5H5BrN2OS.C4H2BrNO2S.C3H3NO2.CH5N/c1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-28(2,3)38-27(36)33-11-8-9-19(16-33)31-23-20-10-12-34(18-37-13-14-40(5,6)7)24(20)30-15-21(23)26-32-22(17-39-26)25(35)29-4;1-22-19(29)15-11-30-20(26-15)14-9-24-18-13(5-7-23-18)17(14)25-12-3-2-8-27(10-12)16(28)4-6-21;1-18-16(24)13-9-25-17(23-13)12-8-21-15-11(4-6-20-15)14(12)22-10-3-2-5-19-7-10;1-7-4(9)3-2-10-5(6)8-3;5-4-6-2(1-9-4)3(7)8;4-2-1-3(5)6;1-2/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10,12,15,17,19H,8-9,11,13-14,16,18H2,1-7H3,(H,29,35)(H,30,31);5,7,9,11-12H,2-4,8,10H2,1H3,(H,22,29)(H2,23,24,25);4,6,8-10,19H,2-3,5,7H2,1H3,(H,18,24)(H2,20,21,22);2H,1H3,(H,7,9);1H,(H,7,8);1H2,(H,5,6);2H2,1H3/t21-;19-;12-;10-;;;;/m1111..../s1.

What are the key properties of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide?

2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2484.66 g/mol, XLogP of 18.10, 29 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;2-bromo-1,3-thiazole-4-carboxylic acid;tert-butyl (3R)-3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide;methanamine;N-methyl-2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159472743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).