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

C164H239Cl3F10N20O23S5 — CID 158963027

IUPACtert-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
SMILESCC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1.CC(C)(C)OC(=O)NC1CC2(CC(CC=O)C2)C1.CC(F)(F)COc1nc2c(s1)CCN(CCC1CC3(C1)CC(NC(=O)OC(C)(C)C)C3)C2.CC(F)(F)COc1nc2c(s1)CCN(CCC1CC3(CC(N)C3)C1)C2.CC(F)(F)COc1nc2c(s1)CCNC2.CCC=C1CC2(C1)CC(NC(=O)OC(C)(C)C)C2.CCCC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2.Cl.Cl.Cl.Cn1cc2c(C(=O)CC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.Cn1cc2c(C(=O)CC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.O=C=O.O=C=O
InChIInChI=1S/2C28H34F2N4O2S.C23H35F2N3O3S.C18H27F2N3OS.C15H27NO2.C15H25NO2.C14H23NO3.C12H19NO3.C9H12F2N2OS.2CO2.3ClH/c2*1-27(29,30)17-36-26-31-23-16-34(9-7-25(23)37-26)8-6-18-11-28(12-18)13-19(14-28)10-24(35)20-4-3-5-22-21(20)15-33(2)32-22;1-21(2,3)31-19(29)26-16-11-23(12-16)9-15(10-23)5-7-28-8-6-18-17(13-28)27-20(32-18)30-14-22(4,24)25;1-17(19,20)11-24-16-22-14-10-23(5-3-15(14)25-16)4-2-12-6-18(7-12)8-13(21)9-18;2*1-5-6-11-7-15(8-11)9-12(10-15)16-13(17)18-14(2,3)4;1-13(2,3)18-12(17)15-11-8-14(9-11)6-10(7-14)4-5-16;1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12;1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8;2*2-1-3;;;/h2*3-5,15,18-19H,6-14,16-17H2,1-2H3;15-16H,5-14H2,1-4H3,(H,26,29);12-13H,2-11,21H2,1H3;11-12H,5-10H2,1-4H3,(H,16,17);6,12H,5,7-10H2,1-4H3,(H,16,17);5,10-11H,4,6-9H2,1-3H3,(H,15,17);8H,4-7H2,1-3H3,(H,13,15);12H,2-5H2,1H3;;;3*1H/b;;;;;11-6-;;;;;;;;
InChIKeyDRGKEHLRAHZEEU-IDDLVNMYSA-N
MW3315.51 g/mol
LogP34.50
Rot. Bonds43

About 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

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 (PubChem CID 158963027) has the molecular formula C164H239Cl3F10N20O23S5 and a molecular weight of 3315.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158963027
Molecular FormulaC164H239Cl3F10N20O23S5
Molecular Weight3315.51 g/mol
Exact Mass3311.57
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1.CC(C)(C)OC(=O)NC1CC2(CC(CC=O)C2)C1.CC(F)(F)COc1nc2c(s1)CCN(CCC1CC3(C1)CC(NC(=O)OC(C)(C)C)C3)C2.CC(F)(F)COc1nc2c(s1)CCN(CCC1CC3(CC(N)C3)C1)C2.CC(F)(F)COc1nc2c(s1)CCNC2.CCC=C1CC2(C1)CC(NC(=O)OC(C)(C)C)C2.CCCC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2.Cl.Cl.Cl.Cn1cc2c(C(=O)CC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.Cn1cc2c(C(=O)CC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.O=C=O.O=C=O
InChIInChI=1S/2C28H34F2N4O2S.C23H35F2N3O3S.C18H27F2N3OS.C15H27NO2.C15H25NO2.C14H23NO3.C12H19NO3.C9H12F2N2OS.2CO2.3ClH/c2*1-27(29,30)17-36-26-31-23-16-34(9-7-25(23)37-26)8-6-18-11-28(12-18)13-19(14-28)10-24(35)20-4-3-5-22-21(20)15-33(2)32-22;1-21(2,3)31-19(29)26-16-11-23(12-16)9-15(10-23)5-7-28-8-6-18-17(13-28)27-20(32-18)30-14-22(4,24)25;1-17(19,20)11-24-16-22-14-10-23(5-3-15(14)25-16)4-2-12-6-18(7-12)8-13(21)9-18;2*1-5-6-11-7-15(8-11)9-12(10-15)16-13(17)18-14(2,3)4;1-13(2,3)18-12(17)15-11-8-14(9-11)6-10(7-14)4-5-16;1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12;1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8;2*2-1-3;;;/h2*3-5,15,18-19H,6-14,16-17H2,1-2H3;15-16H,5-14H2,1-4H3,(H,26,29);12-13H,2-11,21H2,1H3;11-12H,5-10H2,1-4H3,(H,16,17);6,12H,5,7-10H2,1-4H3,(H,16,17);5,10-11H,4,6-9H2,1-3H3,(H,15,17);8H,4-7H2,1-3H3,(H,13,15);12H,2-5H2,1H3;;;3*1H/b;;;;;11-6-;;;;;;;;
InChIKeyDRGKEHLRAHZEEU-IDDLVNMYSA-N
XLogP34.50
TPSA525.46 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003315.51
LogP ≤ 534.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]carbamate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-chloro-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;hydrochloride
CID 159897107
tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]carbamate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexan-1-amine;2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-chloro-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;trihydrochloride
CID 160931588
Tert-butyl 4-[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate;6-[[1-[1-(2-fluoro-4-isocyanophenyl)piperidin-3-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-[1-(2-phenylacetyl)piperidin-4-yl]-1,3-thiazol-5-yl]methyl]benzo[cd]indol-2-one
CID 167599975
tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-4-ylethanone;2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;trihydrochloride
CID 169428196

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1.CC(C)(C)OC(=O)NC1CC2(CC(CC=O)C2)C1.CC(F)(F)COc1nc2c(s1)CCN(CCC1CC3(C1)CC(NC(=O)OC(C)(C)C)C3)C2.CC(F)(F)COc1nc2c(s1)CCN(CCC1CC3(CC(N)C3)C1)C2.CC(F)(F)COc1nc2c(s1)CCNC2.CCC=C1CC2(C1)CC(NC(=O)OC(C)(C)C)C2.CCCC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2.Cl.Cl.Cl.Cn1cc2c(C(=O)CC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.Cn1cc2c(C(=O)CC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.O=C=O.O=C=O.
What is the InChIKey of 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?
The InChIKey is DRGKEHLRAHZEEU-IDDLVNMYSA-N. The full InChI is InChI=1S/2C28H34F2N4O2S.C23H35F2N3O3S.C18H27F2N3OS.C15H27NO2.C15H25NO2.C14H23NO3.C12H19NO3.C9H12F2N2OS.2CO2.3ClH/c2*1-27(29,30)17-36-26-31-23-16-34(9-7-25(23)37-26)8-6-18-11-28(12-18)13-19(14-28)10-24(35)20-4-3-5-22-21(20)15-33(2)32-22;1-21(2,3)31-19(29)26-16-11-23(12-16)9-15(10-23)5-7-28-8-6-18-17(13-28)27-20(32-18)30-14-22(4,24)25;1-17(19,20)11-24-16-22-14-10-23(5-3-15(14)25-16)4-2-12-6-18(7-12)8-13(21)9-18;2*1-5-6-11-7-15(8-11)9-12(10-15)16-13(17)18-14(2,3)4;1-13(2,3)18-12(17)15-11-8-14(9-11)6-10(7-14)4-5-16;1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12;1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8;2*2-1-3;;;/h2*3-5,15,18-19H,6-14,16-17H2,1-2H3;15-16H,5-14H2,1-4H3,(H,26,29);12-13H,2-11,21H2,1H3;11-12H,5-10H2,1-4H3,(H,16,17);6,12H,5,7-10H2,1-4H3,(H,16,17);5,10-11H,4,6-9H2,1-3H3,(H,15,17);8H,4-7H2,1-3H3,(H,13,15);12H,2-5H2,1H3;;;3*1H/b;;;;;11-6-;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3315.51 g/mol, XLogP of 34.50, 43 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158963027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).