2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole

C84H81Cl2F4N31O4S4 — CID 157423578

About 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole (PubChem CID 157423578) has the molecular formula C84H81Cl2F4N31O4S4 and a molecular weight of 1863.95 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
• PubChem CID: 157423578
• Molecular Formula: C84H81Cl2F4N31O4S4
• Molecular Weight: 1863.95 g/mol
• Exact Mass: 1861.53
• IUPAC Name: 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
• SMILES: CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Clc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.FC(F)(F)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Fc1cc(-n2ccnn2)ccc1OCc1csc(C2CCN(c3ncc(Cl)cn3)CC2)n1
• InChI: InChI=1S/C22H24N8OS.C21H19ClFN7OS.C21H19F3N8OS.C20H19ClN8OS/c1-2-16-11-24-22(25-12-16)29-8-5-17(6-9-29)21-27-18(15-32-21)14-31-19-3-4-20(23-13-19)30-10-7-26-28-30;22-15-10-24-21(25-11-15)29-6-3-14(4-7-29)20-27-16(13-32-20)12-31-19-2-1-17(9-18(19)23)30-8-5-26-28-30;22-21(23,24)15-9-26-20(27-10-15)31-6-3-14(4-7-31)19-29-16(13-34-19)12-33-17-1-2-18(25-11-17)32-8-5-28-30-32;21-15-9-23-20(24-10-15)28-6-3-14(4-7-28)19-26-16(13-31-19)12-30-17-1-2-18(22-11-17)29-8-5-25-27-29/h3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;1-2,5,8-11,13-14H,3-4,6-7,12H2;1-2,5,8-11,13-14H,3-4,6-7,12H2;1-2,5,8-11,13-14H,3-4,6-7,12H2
• InChIKey: BPRULEOBOSSHCR-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 366.07 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.95
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?

The IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-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 157423578) is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole.

What is the SMILES notation for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?

The canonical SMILES for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole is CCc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Clc1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.FC(F)(F)c1cnc(N2CCC(c3nc(COc4ccc(-n5ccnn5)nc4)cs3)CC2)nc1.Fc1cc(-n2ccnn2)ccc1OCc1csc(C2CCN(c3ncc(Cl)cn3)CC2)n1.

What is the InChIKey of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?

The InChIKey is BPRULEOBOSSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS.C21H19ClFN7OS.C21H19F3N8OS.C20H19ClN8OS/c1-2-16-11-24-22(25-12-16)29-8-5-17(6-9-29)21-27-18(15-32-21)14-31-19-3-4-20(23-13-19)30-10-7-26-28-30;22-15-10-24-21(25-11-15)29-6-3-14(4-7-29)20-27-16(13-32-20)12-31-19-2-1-17(9-18(19)23)30-8-5-26-28-30;22-21(23,24)15-9-26-20(27-10-15)31-6-3-14(4-7-31)19-29-16(13-34-19)12-33-17-1-2-18(25-11-17)32-8-5-28-30-32;21-15-9-23-20(24-10-15)28-6-3-14(4-7-28)19-26-16(13-31-19)12-30-17-1-2-18(22-11-17)29-8-5-25-27-29/h3-4,7,10-13,15,17H,2,5-6,8-9,14H2,1H3;1-2,5,8-11,13-14H,3-4,6-7,12H2;1-2,5,8-11,13-14H,3-4,6-7,12H2;1-2,5,8-11,13-14H,3-4,6-7,12H2.

What are the key properties of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole?

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 1863.95 g/mol, XLogP of 15.12, 25 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-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-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 157423578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).