4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C58H68BClF6N10O6S2 — CID 167555546

About 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 167555546) has the molecular formula C58H68BClF6N10O6S2 and a molecular weight of 1225.63 g/mol. Its IUPAC name is 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 167555546
• Molecular Formula: C58H68BClF6N10O6S2
• Molecular Weight: 1225.63 g/mol
• Exact Mass: 1224.45
• IUPAC Name: 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cscn2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H28F3N5O2S.C20H28BF3N2O3.C12H12ClN3OS/c1-17-2-3-20(31-25(35)34-5-4-18(14-34)13-26(27,28)29)12-21(17)19-10-22(23-15-37-16-30-23)32-24(11-19)33-6-8-36-9-7-33;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-9-5-10(11-7-18-8-14-11)15-12(6-9)16-1-3-17-4-2-16/h2-3,10-12,15-16,18H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2/t18-;14-;/m00./s1
• InChIKey: CYRMZKIVUHUTFD-LOSRQRRDSA-N
• XLogP: 12.62
• TPSA: 159.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.63
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 167555546) is 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2cscn2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(-c2cscn2)nc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is CYRMZKIVUHUTFD-LOSRQRRDSA-N. The full InChI is InChI=1S/C26H28F3N5O2S.C20H28BF3N2O3.C12H12ClN3OS/c1-17-2-3-20(31-25(35)34-5-4-18(14-34)13-26(27,28)29)12-21(17)19-10-22(23-15-37-16-30-23)32-24(11-19)33-6-8-36-9-7-33;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-9-5-10(11-7-18-8-14-11)15-12(6-9)16-1-3-17-4-2-16/h2-3,10-12,15-16,18H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-8H,1-4H2/t18-;14-;/m00./s1.

What are the key properties of 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1225.63 g/mol, XLogP of 12.62, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(1,3-thiazol-4-yl)-2-pyridinyl]morpholine;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167555546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).