2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

C94H104F3N15O14S6 — CID 158915400

IUPAC2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(OC2CCC(Oc3c(F)cc(-c4ccc(S(C)(=O)=O)cc4)cc3F)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4)cs3)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4F)cs3)CC2)nc1
InChIInChI=1S/C25H26F2N2O4S.C23H26FN3O4S2.C23H25N7O2S.C23H27N3O4S2/c1-3-16-14-28-25(29-15-16)33-20-8-6-19(7-9-20)32-24-22(26)12-18(13-23(24)27)17-4-10-21(11-5-17)34(2,30)31;1-3-15-11-25-23(26-12-15)31-18-6-4-16(5-7-18)22-27-17(14-32-22)13-30-21-9-8-19(10-20(21)24)33(2,28)29;1-2-16-11-24-23(25-12-16)32-21-7-3-17(4-8-21)22-27-18(14-33-22)13-31-20-9-5-19(6-10-20)30-15-26-28-29-30;1-3-16-12-24-23(25-13-16)30-20-6-4-17(5-7-20)22-26-18(15-31-22)14-29-19-8-10-21(11-9-19)32(2,27)28/h4-5,10-15,19-20H,3,6-9H2,1-2H3;8-12,14,16,18H,3-7,13H2,1-2H3;5-6,9-12,14-15,17,21H,2-4,7-8,13H2,1H3;8-13,15,17,20H,3-7,14H2,1-2H3
InChIKeyJHDZNMCLZCLZIL-UHFFFAOYSA-N
MW1917.35 g/mol
LogP18.62
Rot. Bonds31

About 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 158915400) has the molecular formula C94H104F3N15O14S6 and a molecular weight of 1917.35 g/mol. Its IUPAC name is 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID158915400
Molecular FormulaC94H104F3N15O14S6
Molecular Weight1917.35 g/mol
Exact Mass1915.62
IUPAC Name2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(OC2CCC(Oc3c(F)cc(-c4ccc(S(C)(=O)=O)cc4)cc3F)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4)cs3)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4F)cs3)CC2)nc1
InChIInChI=1S/C25H26F2N2O4S.C23H26FN3O4S2.C23H25N7O2S.C23H27N3O4S2/c1-3-16-14-28-25(29-15-16)33-20-8-6-19(7-9-20)32-24-22(26)12-18(13-23(24)27)17-4-10-21(11-5-17)34(2,30)31;1-3-15-11-25-23(26-12-15)31-18-6-4-16(5-7-18)22-27-17(14-32-22)13-30-21-9-8-19(10-20(21)24)33(2,28)29;1-2-16-11-24-23(25-12-16)32-21-7-3-17(4-8-21)22-27-18(14-33-22)13-31-20-9-5-19(6-10-20)30-15-26-28-29-30;1-3-16-12-24-23(25-13-16)30-20-6-4-17(5-7-20)22-26-18(15-31-22)14-29-19-8-10-21(11-9-19)32(2,27)28/h4-5,10-15,19-20H,3,6-9H2,1-2H3;8-12,14,16,18H,3-7,13H2,1-2H3;5-6,9-12,14-15,17,21H,2-4,7-8,13H2,1H3;8-13,15,17,20H,3-7,14H2,1-2H3
InChIKeyJHDZNMCLZCLZIL-UHFFFAOYSA-N
XLogP18.62
TPSA361.65 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.35
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenyl]methoxy]-1,3-thiazole;5-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 157512198
2-[4-(5-Ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 158306485
2-[4-[2,6-Difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;methane
CID 158415083
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
1-ethoxy-4-[2-(2-methylpropoxy)ethyl]benzene;5-ethyl-2-[2-(2-methylpropoxy)ethyl]pyridine;1-fluoro-2-[2-(2-methylpropoxy)ethyl]benzene;2-methyl-4-[4-(2-methylpropoxymethyl)phenyl]-1,3-thiazole;[(Z)-4-(2-methylpropoxy)but-2-enoxy]methylbenzene;2-(2-methylpropoxy)ethylsulfanylmethylbenzene;3-[2-(2-methylpropoxy)ethyl]thiophene;1-[[4-(2-methylpropoxymethyl)phenyl]methyl]-1,2,4-triazole;1-[4-(2-methylpropoxymethyl)phenyl]pyrazole;4-(2-methylpropoxymethyl)-2-phenyl-1,3-thiazole;4-(2-methylpropoxymethyl)-2-pyridin-3-yl-1,3-thiazole
CID 160262581
4-(Chloromethyl)-2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;4-(tetrazol-1-yl)phenol
CID 161295996
2-[4-(5-Ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 162209538
CID 168318577
CID 168318577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 158915400) is 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is CCc1cnc(OC2CCC(Oc3c(F)cc(-c4ccc(S(C)(=O)=O)cc4)cc3F)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4)cs3)CC2)nc1.CCc1cnc(OC2CCC(c3nc(COc4ccc(S(C)(=O)=O)cc4F)cs3)CC2)nc1.
What is the InChIKey of 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is JHDZNMCLZCLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O4S.C23H26FN3O4S2.C23H25N7O2S.C23H27N3O4S2/c1-3-16-14-28-25(29-15-16)33-20-8-6-19(7-9-20)32-24-22(26)12-18(13-23(24)27)17-4-10-21(11-5-17)34(2,30)31;1-3-15-11-25-23(26-12-15)31-18-6-4-16(5-7-18)22-27-17(14-32-22)13-30-21-9-8-19(10-20(21)24)33(2,28)29;1-2-16-11-24-23(25-12-16)32-21-7-3-17(4-8-21)22-27-18(14-33-22)13-31-20-9-5-19(6-10-20)30-15-26-28-29-30;1-3-16-12-24-23(25-13-16)30-20-6-4-17(5-7-20)22-26-18(15-31-22)14-29-19-8-10-21(11-9-19)32(2,27)28/h4-5,10-15,19-20H,3,6-9H2,1-2H3;8-12,14,16,18H,3-7,13H2,1-2H3;5-6,9-12,14-15,17,21H,2-4,7-8,13H2,1H3;8-13,15,17,20H,3-7,14H2,1-2H3.
What are the key properties of 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 1917.35 g/mol, XLogP of 18.62, 31 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-difluoro-4-(4-methylsulfonylphenyl)phenoxy]cyclohexyl]oxy-5-ethylpyrimidine;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole;2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 158915400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).