2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide

C107H115Br2ClN26O18S8 — CID 167537780

About 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide

2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 167537780) has the molecular formula C107H115Br2ClN26O18S8 and a molecular weight of 2505.06 g/mol. Its IUPAC name is 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 167537780
• Molecular Formula: C107H115Br2ClN26O18S8
• Molecular Weight: 2505.06 g/mol
• Exact Mass: 2500.47
• IUPAC Name: 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: CNC(=O)c1csc(-c2cnc3[nH]ccc3c2NC2CC(NC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1csc(-c2cnc3[nH]ccc3c2NC2CC(NS(=O)(=O)c3cccc(C#N)c3)C2)n1.CNC(=O)c1csc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(NC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1csc(Br)n1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(NC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.N#Cc1cccc(S(=O)(=O)Cl)c1
• InChI: InChI=1S/C28H32N6O5S2.C23H27BrN4O4S.C23H21N7O3S2.C21H26N6O3S.C7H4ClNO2S.C5H5BrN2OS/c1-16-6-8-19(9-7-16)41(37,38)34-11-10-20-23(31-17-12-18(13-17)32-27(36)39-28(2,3)4)21(14-30-24(20)34)26-33-22(15-40-26)25(35)29-5;1-14-5-7-17(8-6-14)33(30,31)28-10-9-18-20(19(24)13-25-21(18)28)26-15-11-16(12-15)27-22(29)32-23(2,3)4;1-25-22(31)19-12-34-23(29-19)18-11-27-21-17(5-6-26-21)20(18)28-14-8-15(9-14)30-35(32,33)16-4-2-3-13(7-16)10-24;1-21(2,3)30-20(29)26-12-7-11(8-12)25-16-13-5-6-23-17(13)24-9-14(16)19-27-15(10-31-19)18(28)22-4;8-12(10,11)7-3-1-2-6(4-7)5-9;1-7-4(9)3-2-10-5(6)8-3/h6-11,14-15,17-18H,12-13H2,1-5H3,(H,29,35)(H,30,31)(H,32,36);5-10,13,15-16H,11-12H2,1-4H3,(H,25,26)(H,27,29);2-7,11-12,14-15,30H,8-9H2,1H3,(H,25,31)(H2,26,27,28);5-6,9-12H,7-8H2,1-4H3,(H,22,28)(H,26,29)(H2,23,24,25);1-4H;2H,1H3,(H,7,9)
• InChIKey: ATTCULGGXLJFOP-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 620.24 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.06
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 167537780) is 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2cnc3[nH]ccc3c2NC2CC(NC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1csc(-c2cnc3[nH]ccc3c2NC2CC(NS(=O)(=O)c3cccc(C#N)c3)C2)n1.CNC(=O)c1csc(-c2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c2NC2CC(NC(=O)OC(C)(C)C)C2)n1.CNC(=O)c1csc(Br)n1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(NC(=O)OC(C)(C)C)C4)c(Br)cnc32)cc1.N#Cc1cccc(S(=O)(=O)Cl)c1.

What is the InChIKey of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is ATTCULGGXLJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5S2.C23H27BrN4O4S.C23H21N7O3S2.C21H26N6O3S.C7H4ClNO2S.C5H5BrN2OS/c1-16-6-8-19(9-7-16)41(37,38)34-11-10-20-23(31-17-12-18(13-17)32-27(36)39-28(2,3)4)21(14-30-24(20)34)26-33-22(15-40-26)25(35)29-5;1-14-5-7-17(8-6-14)33(30,31)28-10-9-18-20(19(24)13-25-21(18)28)26-15-11-16(12-15)27-22(29)32-23(2,3)4;1-25-22(31)19-12-34-23(29-19)18-11-27-21-17(5-6-26-21)20(18)28-14-8-15(9-14)30-35(32,33)16-4-2-3-13(7-16)10-24;1-21(2,3)30-20(29)26-12-7-11(8-12)25-16-13-5-6-23-17(13)24-9-14(16)19-27-15(10-31-19)18(28)22-4;8-12(10,11)7-3-1-2-6(4-7)5-9;1-7-4(9)3-2-10-5(6)8-3/h6-11,14-15,17-18H,12-13H2,1-5H3,(H,29,35)(H,30,31)(H,32,36);5-10,13,15-16H,11-12H2,1-4H3,(H,25,26)(H,27,29);2-7,11-12,14-15,30H,8-9H2,1H3,(H,25,31)(H2,26,27,28);5-6,9-12H,7-8H2,1-4H3,(H,22,28)(H,26,29)(H2,23,24,25);1-4H;2H,1H3,(H,7,9).

What are the key properties of 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide?

2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 2505.06 g/mol, XLogP of 18.45, 26 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-methyl-1,3-thiazole-4-carboxamide;tert-butyl N-[3-[[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;tert-butyl N-[3-[[5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate;3-cyanobenzenesulfonyl chloride;2-[4-[[3-[(3-cyanophenyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167537780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).