About 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride
4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride (PubChem CID 158371003) has the molecular formula C135H202Cl6N24O12S7
and a molecular weight of 2790.44 g/mol. Its IUPAC name is 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride.
Frequently Asked Questions
What is the IUPAC name of 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride?
The IUPAC name of 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride (CID 158371003) is 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride.
What is the SMILES notation for 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride?
The canonical SMILES for 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride is C1Cc2sc(N3CC4CC4C3)nc2CN1.CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2sc(N)nc2C1.CC(C)(C)OC(=O)N1CCc2sc(N3CC4CC4C3)nc2C1.CC(C)(C)OC(=O)NC1CCC(CC=O)CC1.CC(C)(C)OC(=O)NC1CCC(CCN2CCc3sc(N4CC5CC5C4)nc3C2)CC1.Cl.Cl.Cl.Cl.Cl.NC1CCC(CCN2CCc3sc(N4CC5CC5C4)nc3C2)CC1.O=C(CC1CCC(CCN2CCc3sc(N4CC5CC5C4)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride?
The InChIKey is GHQPITOTMRAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4OS.C24H38N4O2S.C19H30N4S.C16H23N3O2S.C13H23NO3.C11H15ClN2O2S.C11H17N3O2S.C11H15N3S.5ClH/c35-28(25-3-1-5-26-24(25)4-2-12-31-26)15-21-8-6-20(7-9-21)10-13-33-14-11-29-27(19-33)32-30(36-29)34-17-22-16-23(22)18-34;1-24(2,3)30-23(29)25-19-6-4-16(5-7-19)8-10-27-11-9-21-20(15-27)26-22(31-21)28-13-17-12-18(17)14-28;20-16-3-1-13(2-4-16)5-7-22-8-6-18-17(12-22)21-19(24-18)23-10-14-9-15(14)11-23;1-16(2,3)21-15(20)18-5-4-13-12(9-18)17-14(22-13)19-7-10-6-11(10)8-19;1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15;2*1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;1-2-12-4-9-10(1)15-11(13-9)14-5-7-3-8(7)6-14;;;;;/h1-5,12,20-23H,6-11,13-19H2;16-19H,4-15H2,1-3H3,(H,25,29);13-16H,1-12,20H2;10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;4-6H2,1-3H3,(H2,12,13);7-8,12H,1-6H2;5*1H.
What are the key properties of 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride?
4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride has a molecular weight of 2790.44 g/mol, XLogP of 27.28, 21 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexan-1-amine;2-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(3-azabicyclo[3.1.0]hexan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]carbamate;tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate;pentahydrochloride is sourced from PubChem (CID 158371003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).