2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone

C175H219F8N17O8S6 — CID 160910067

IUPAC2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
SMILESC.Cn1cc(CC(=O)CC2CCC(CCN3CCc4sc(C5CC(F)(F)C5)nc4C3)CC2)cn1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6(C(F)(F)F)CCC6)nc5C4)CC3)c2c1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6(C)CC(F)(F)C6)nc5C4)CC3)c2c1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6CCC6)nc5C4)CC3)c2c1.O=C(CC1CCC(CCN2CCc3sc(OC4CC(F)C4)nc3C2)CC1)c1cccc2ccccc12.O=C(CC1CCC(CCN2CCc3sc(OC4CCC4)nc3C2)CC1)c1cccc2ccccc12
InChIInChI=1S/C30H36F3N3OS.C30H37F2N3OS.C30H35FN2O2S.C30H36N2O2S.C29H37N3OS.C25H34F2N4OS.CH4/c1-35-17-22-4-2-5-23(24(22)18-35)26(37)16-21-8-6-20(7-9-21)10-14-36-15-11-27-25(19-36)34-28(38-27)29(12-3-13-29)30(31,32)33;1-29(18-30(31,32)19-29)28-33-25-17-35(13-11-27(25)37-28)12-10-20-6-8-21(9-7-20)14-26(36)23-5-3-4-22-15-34(2)16-24(22)23;31-23-17-24(18-23)35-30-32-27-19-33(15-13-29(27)36-30)14-12-20-8-10-21(11-9-20)16-28(34)26-7-3-5-22-4-1-2-6-25(22)26;33-28(26-10-3-6-23-5-1-2-9-25(23)26)19-22-13-11-21(12-14-22)15-17-32-18-16-29-27(20-32)31-30(35-29)34-24-7-4-8-24;1-31-17-23-6-3-7-24(25(23)18-31)27(33)16-21-10-8-20(9-11-21)12-14-32-15-13-28-26(19-32)30-29(34-28)22-4-2-5-22;1-30-15-19(14-28-30)11-21(32)10-18-4-2-17(3-5-18)6-8-31-9-7-23-22(16-31)29-24(33-23)20-12-25(26,27)13-20;/h2,4-5,17-18,20-21H,3,6-16,19H2,1H3;3-5,15-16,20-21H,6-14,17-19H2,1-2H3;1-7,20-21,23-24H,8-19H2;1-3,5-6,9-10,21-22,24H,4,7-8,11-20H2;3,6-7,17-18,20-22H,2,4-5,8-16,19H2,1H3;14-15,17-18,20H,2-13,16H2,1H3;1H4
InChIKeySQQUWXKMAWOQIN-UHFFFAOYSA-N
MW3033.17 g/mol
LogP41.17
Rot. Bonds45

About 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone

2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone (PubChem CID 160910067) has the molecular formula C175H219F8N17O8S6 and a molecular weight of 3033.17 g/mol. Its IUPAC name is 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
PubChem CID160910067
Molecular FormulaC175H219F8N17O8S6
Molecular Weight3033.17 g/mol
Exact Mass3030.54
IUPAC Name2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
SMILESC.Cn1cc(CC(=O)CC2CCC(CCN3CCc4sc(C5CC(F)(F)C5)nc4C3)CC2)cn1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6(C(F)(F)F)CCC6)nc5C4)CC3)c2c1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6(C)CC(F)(F)C6)nc5C4)CC3)c2c1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6CCC6)nc5C4)CC3)c2c1.O=C(CC1CCC(CCN2CCc3sc(OC4CC(F)C4)nc3C2)CC1)c1cccc2ccccc12.O=C(CC1CCC(CCN2CCc3sc(OC4CCC4)nc3C2)CC1)c1cccc2ccccc12
InChIInChI=1S/C30H36F3N3OS.C30H37F2N3OS.C30H35FN2O2S.C30H36N2O2S.C29H37N3OS.C25H34F2N4OS.CH4/c1-35-17-22-4-2-5-23(24(22)18-35)26(37)16-21-8-6-20(7-9-21)10-14-36-15-11-27-25(19-36)34-28(38-27)29(12-3-13-29)30(31,32)33;1-29(18-30(31,32)19-29)28-33-25-17-35(13-11-27(25)37-28)12-10-20-6-8-21(9-7-20)14-26(36)23-5-3-4-22-15-34(2)16-24(22)23;31-23-17-24(18-23)35-30-32-27-19-33(15-13-29(27)36-30)14-12-20-8-10-21(11-9-20)16-28(34)26-7-3-5-22-4-1-2-6-25(22)26;33-28(26-10-3-6-23-5-1-2-9-25(23)26)19-22-13-11-21(12-14-22)15-17-32-18-16-29-27(20-32)31-30(35-29)34-24-7-4-8-24;1-31-17-23-6-3-7-24(25(23)18-31)27(33)16-21-10-8-20(9-11-21)12-14-32-15-13-28-26(19-32)30-29(34-28)22-4-2-5-22;1-30-15-19(14-28-30)11-21(32)10-18-4-2-17(3-5-18)6-8-31-9-7-23-22(16-31)29-24(33-23)20-12-25(26,27)13-20;/h2,4-5,17-18,20-21H,3,6-16,19H2,1H3;3-5,15-16,20-21H,6-14,17-19H2,1-2H3;1-7,20-21,23-24H,8-19H2;1-3,5-6,9-10,21-22,24H,4,7-8,11-20H2;3,6-7,17-18,20-22H,2,4-5,8-16,19H2,1H3;14-15,17-18,20H,2-13,16H2,1H3;1H4
InChIKeySQQUWXKMAWOQIN-UHFFFAOYSA-N
XLogP41.17
TPSA250.27 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds45
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003033.17
LogP ≤ 541.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]carbamate;tert-butyl N-[6-(2-oxoethyl)spiro[3.3]heptan-2-yl]carbamate;tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate;tert-butyl N-(2-propylidenespiro[3.3]heptan-6-yl)carbamate;tert-butyl N-(6-propylspiro[3.3]heptan-2-yl)carbamate;bis(carbon dioxide);6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-amine;bis(2-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-1-(2-methylindazol-4-yl)ethanone);2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;trihydrochloride
CID 158963027

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
The IUPAC name of 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone (CID 160910067) is 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone.
What is the SMILES notation for 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
The canonical SMILES for 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone is C.Cn1cc(CC(=O)CC2CCC(CCN3CCc4sc(C5CC(F)(F)C5)nc4C3)CC2)cn1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6(C(F)(F)F)CCC6)nc5C4)CC3)c2c1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6(C)CC(F)(F)C6)nc5C4)CC3)c2c1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CCc5sc(C6CCC6)nc5C4)CC3)c2c1.O=C(CC1CCC(CCN2CCc3sc(OC4CC(F)C4)nc3C2)CC1)c1cccc2ccccc12.O=C(CC1CCC(CCN2CCc3sc(OC4CCC4)nc3C2)CC1)c1cccc2ccccc12.
What is the InChIKey of 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
The InChIKey is SQQUWXKMAWOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3OS.C30H37F2N3OS.C30H35FN2O2S.C30H36N2O2S.C29H37N3OS.C25H34F2N4OS.CH4/c1-35-17-22-4-2-5-23(24(22)18-35)26(37)16-21-8-6-20(7-9-21)10-14-36-15-11-27-25(19-36)34-28(38-27)29(12-3-13-29)30(31,32)33;1-29(18-30(31,32)19-29)28-33-25-17-35(13-11-27(25)37-28)12-10-20-6-8-21(9-7-20)14-26(36)23-5-3-4-22-15-34(2)16-24(22)23;31-23-17-24(18-23)35-30-32-27-19-33(15-13-29(27)36-30)14-12-20-8-10-21(11-9-20)16-28(34)26-7-3-5-22-4-1-2-6-25(22)26;33-28(26-10-3-6-23-5-1-2-9-25(23)26)19-22-13-11-21(12-14-22)15-17-32-18-16-29-27(20-32)31-30(35-29)34-24-7-4-8-24;1-31-17-23-6-3-7-24(25(23)18-31)27(33)16-21-10-8-20(9-11-21)12-14-32-15-13-28-26(19-32)30-29(34-28)22-4-2-5-22;1-30-15-19(14-28-30)11-21(32)10-18-4-2-17(3-5-18)6-8-31-9-7-23-22(16-31)29-24(33-23)20-12-25(26,27)13-20;/h2,4-5,17-18,20-21H,3,6-16,19H2,1H3;3-5,15-16,20-21H,6-14,17-19H2,1-2H3;1-7,20-21,23-24H,8-19H2;1-3,5-6,9-10,21-22,24H,4,7-8,11-20H2;3,6-7,17-18,20-22H,2,4-5,8-16,19H2,1H3;14-15,17-18,20H,2-13,16H2,1H3;1H4.
What are the key properties of 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?
2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone has a molecular weight of 3033.17 g/mol, XLogP of 41.17, 45 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-(2-cyclobutyloxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;1-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one;2-[4-[2-[2-(3,3-difluoro-1-methylcyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;2-[4-[2-[2-(3-fluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-naphthalen-1-ylethanone;methane;1-(2-methylisoindol-4-yl)-2-[4-[2-[2-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone is sourced from PubChem (CID 160910067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).