2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C102H140BBr2N23O19S10Si2 — CID 159143203

About 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 159143203) has the molecular formula C102H140BBr2N23O19S10Si2 and a molecular weight of 2539.85 g/mol. Its IUPAC name is 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

• Compound Name: 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
• PubChem CID: 159143203
• Molecular Formula: C102H140BBr2N23O19S10Si2
• Molecular Weight: 2539.85 g/mol
• Exact Mass: 2535.59
• IUPAC Name: 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncc(S(C)(=O)=O)s3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)s1.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)s1.CS(=O)(=O)c1cnc(Br)s1.CSc1cnc(Br)s1.N#CCC(=O)O
• InChI: InChI=1S/C29H49BN4O5Si.C27H41N5O5S2Si.C19H20N6O3S2.C16H19N5O2S2.C4H4BrNO2S2.C4H4BrNS2.C3H3NO2/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;1-27(2,3)37-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-36-13-14-40(5,6)7)24(20)28-15-21(23)25-29-16-22(38-25)39(4,34)35;1-30(27,28)16-10-23-19(29-16)14-9-22-18-13(5-7-21-18)17(14)24-12-3-2-8-25(11-12)15(26)4-6-20;1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10;1-10(7,8)3-2-6-4(5)9-3;1-7-3-2-6-4(5)8-3;4-2-1-3(5)6/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);5,7,9-10,12H,2-4,8,11H2,1H3,(H2,21,22,24);4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21);2H,1H3;2H,1H3;1H2,(H,5,6)/t21-;19-;12-;10-;;;/m1111.../s1
• InChIKey: KIISCIUOBCKUAF-ITJFDCJESA-N
• XLogP: 19.73
• TPSA: 555.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2539.85
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

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-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The IUPAC name of 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 159143203) is 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

What is the SMILES notation for 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The canonical SMILES for 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncc(S(C)(=O)=O)s3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)s1.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)s1.CS(=O)(=O)c1cnc(Br)s1.CSc1cnc(Br)s1.N#CCC(=O)O.

What is the InChIKey of 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The InChIKey is KIISCIUOBCKUAF-ITJFDCJESA-N. The full InChI is InChI=1S/C29H49BN4O5Si.C27H41N5O5S2Si.C19H20N6O3S2.C16H19N5O2S2.C4H4BrNO2S2.C4H4BrNS2.C3H3NO2/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;1-27(2,3)37-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-36-13-14-40(5,6)7)24(20)28-15-21(23)25-29-16-22(38-25)39(4,34)35;1-30(27,28)16-10-23-19(29-16)14-9-22-18-13(5-7-21-18)17(14)24-12-3-2-8-25(11-12)15(26)4-6-20;1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10;1-10(7,8)3-2-6-4(5)9-3;1-7-3-2-6-4(5)8-3;4-2-1-3(5)6/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);5,7,9-10,12H,2-4,8,11H2,1H3,(H2,21,22,24);4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21);2H,1H3;2H,1H3;1H2,(H,5,6)/t21-;19-;12-;10-;;;/m1111.../s1.

What are the key properties of 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 2539.85 g/mol, XLogP of 19.73, 29 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-methylsulfanyl-1,3-thiazole;2-bromo-5-methylsulfonyl-1,3-thiazole;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-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;5-(5-methylsulfonyl-1,3-thiazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methylsulfonyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 159143203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).