2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

C179H196F6N48O16S9 — CID 162117778

IUPAC2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)OC(=O)N1CCC(c2nc(COc3ccc(S(C)(=O)=O)cc3F)cs2)CC1.CC(C)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.CC(C)c1noc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4)cs3)CC2)n1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4)cs3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)co3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4F)cs3)CC2)nc1.Cc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1
InChIInChI=1S/C24H26FN7OS.C23H24FN7O2.C23H24FN7OS.C23H25N7OS.C22H22FN7OS.C22H25FN4O3S2.C22H25N7O2S.C20H25FN2O5S2/c1-16(2)18-12-26-24(27-13-18)31-8-5-17(6-9-31)23-29-19(15-34-23)14-33-22-4-3-20(11-21(22)25)32-10-7-28-30-32;2*1-2-16-12-25-23(26-13-16)30-8-5-17(6-9-30)22-28-18(15-33-22)14-32-21-4-3-19(11-20(21)24)31-10-7-27-29-31;1-2-17-13-24-23(25-14-17)29-10-7-18(8-11-29)22-27-19(16-32-22)15-31-21-5-3-20(4-6-21)30-12-9-26-28-30;1-15-11-24-22(25-12-15)29-7-4-16(5-8-29)21-27-17(14-32-21)13-31-20-3-2-18(10-19(20)23)30-9-6-26-28-30;1-3-15-11-24-22(25-12-15)27-8-6-16(7-9-27)21-26-17(14-31-21)13-30-20-5-4-18(10-19(20)23)32(2,28)29;1-15(2)20-25-22(31-26-20)28-10-7-16(8-11-28)21-24-17(14-32-21)13-30-19-5-3-18(4-6-19)29-12-9-23-27-29;1-13(2)28-20(24)23-8-6-14(7-9-23)19-22-15(12-29-19)11-27-18-5-4-16(10-17(18)21)30(3,25)26/h3-4,7,10-13,15-17H,5-6,8-9,14H2,1-2H3;2*3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;3-6,9,12-14,16,18H,2,7-8,10-11,15H2,1H3;2-3,6,9-12,14,16H,4-5,7-8,13H2,1H3;4-5,10-12,14,16H,3,6-9,13H2,1-2H3;3-6,9,12,14-16H,7-8,10-11,13H2,1-2H3;4-5,10,12-14H,6-9,11H2,1-3H3
InChIKeyZGZPYOCUICDBBG-UHFFFAOYSA-N
MW3678.45 g/mol
LogP32.77
Rot. Bonds54

About 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 162117778) has the molecular formula C179H196F6N48O16S9 and a molecular weight of 3678.45 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID162117778
Molecular FormulaC179H196F6N48O16S9
Molecular Weight3678.45 g/mol
Exact Mass3675.34
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)OC(=O)N1CCC(c2nc(COc3ccc(S(C)(=O)=O)cc3F)cs2)CC1.CC(C)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.CC(C)c1noc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4)cs3)CC2)n1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4)cs3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)co3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4F)cs3)CC2)nc1.Cc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1
InChIInChI=1S/C24H26FN7OS.C23H24FN7O2.C23H24FN7OS.C23H25N7OS.C22H22FN7OS.C22H25FN4O3S2.C22H25N7O2S.C20H25FN2O5S2/c1-16(2)18-12-26-24(27-13-18)31-8-5-17(6-9-31)23-29-19(15-34-23)14-33-22-4-3-20(11-21(22)25)32-10-7-28-30-32;2*1-2-16-12-25-23(26-13-16)30-8-5-17(6-9-30)22-28-18(15-33-22)14-32-21-4-3-19(11-20(21)24)31-10-7-27-29-31;1-2-17-13-24-23(25-14-17)29-10-7-18(8-11-29)22-27-19(16-32-22)15-31-21-5-3-20(4-6-21)30-12-9-26-28-30;1-15-11-24-22(25-12-15)29-7-4-16(5-8-29)21-27-17(14-32-21)13-31-20-3-2-18(10-19(20)23)30-9-6-26-28-30;1-3-15-11-24-22(25-12-15)27-8-6-16(7-9-27)21-26-17(14-31-21)13-30-20-5-4-18(10-19(20)23)32(2,28)29;1-15(2)20-25-22(31-26-20)28-10-7-16(8-11-28)21-24-17(14-32-21)13-30-19-5-3-18(4-6-19)29-12-9-23-27-29;1-13(2)28-20(24)23-8-6-14(7-9-23)19-22-15(12-29-19)11-27-18-5-4-16(10-17(18)21)30(3,25)26/h3-4,7,10-13,15-17H,5-6,8-9,14H2,1-2H3;2*3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;3-6,9,12-14,16,18H,2,7-8,10-11,15H2,1H3;2-3,6,9-12,14,16H,4-5,7-8,13H2,1H3;4-5,10-12,14,16H,3,6-9,13H2,1-2H3;3-6,9,12,14-16H,7-8,10-11,13H2,1-2H3;4-5,10,12-14H,6-9,11H2,1-3H3
InChIKeyZGZPYOCUICDBBG-UHFFFAOYSA-N
XLogP32.77
TPSA688.46 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds54
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003678.45
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Analyze 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-fluoro-6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
CID 159627438
tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;5-[4-[(1R,2R)-2-[(2-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;5-[4-[(1R,2R)-2-[(3-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;5-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 158772572
2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 159735650
2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 159757789

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (CID 162117778) is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)OC(=O)N1CCC(c2nc(COc3ccc(S(C)(=O)=O)cc3F)cs2)CC1.CC(C)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.CC(C)c1noc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4)cs3)CC2)n1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4)cs3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)co3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.CCc1cnc(N2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4F)cs3)CC2)nc1.Cc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)cc4F)cs3)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is ZGZPYOCUICDBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7OS.C23H24FN7O2.C23H24FN7OS.C23H25N7OS.C22H22FN7OS.C22H25FN4O3S2.C22H25N7O2S.C20H25FN2O5S2/c1-16(2)18-12-26-24(27-13-18)31-8-5-17(6-9-31)23-29-19(15-34-23)14-33-22-4-3-20(11-21(22)25)32-10-7-28-30-32;2*1-2-16-12-25-23(26-13-16)30-8-5-17(6-9-30)22-28-18(15-33-22)14-32-21-4-3-19(11-20(21)24)31-10-7-27-29-31;1-2-17-13-24-23(25-14-17)29-10-7-18(8-11-29)22-27-19(16-32-22)15-31-21-5-3-20(4-6-21)30-12-9-26-28-30;1-15-11-24-22(25-12-15)29-7-4-16(5-8-29)21-27-17(14-32-21)13-31-20-3-2-18(10-19(20)23)30-9-6-26-28-30;1-3-15-11-24-22(25-12-15)27-8-6-16(7-9-27)21-26-17(14-31-21)13-30-20-5-4-18(10-19(20)23)32(2,28)29;1-15(2)20-25-22(31-26-20)28-10-7-16(8-11-28)21-24-17(14-32-21)13-30-19-5-3-18(4-6-19)29-12-9-23-27-29;1-13(2)28-20(24)23-8-6-14(7-9-23)19-22-15(12-29-19)11-27-18-5-4-16(10-17(18)21)30(3,25)26/h3-4,7,10-13,15-17H,5-6,8-9,14H2,1-2H3;2*3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;3-6,9,12-14,16,18H,2,7-8,10-11,15H2,1H3;2-3,6,9-12,14,16H,4-5,7-8,13H2,1H3;4-5,10-12,14,16H,3,6-9,13H2,1-2H3;3-6,9,12,14-16H,7-8,10-11,13H2,1-2H3;4-5,10,12-14H,6-9,11H2,1-3H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 3678.45 g/mol, XLogP of 32.77, 54 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-oxazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;propan-2-yl 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;3-propan-2-yl-5-[4-[4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 162117778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).