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

C109H158Cl4F10N16O15S6 — CID 169428196

About 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

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 (PubChem CID 169428196) has the molecular formula C109H158Cl4F10N16O15S6 and a molecular weight of 2456.75 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 169428196
• Molecular Formula: C109H158Cl4F10N16O15S6
• Molecular Weight: 2456.75 g/mol
• Exact Mass: 2452.90
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2sc(OCC(F)F)nc2C1.CC(C)(C)OC(=O)NC1CCC(CC=O)CC1.CC(C)(C)OC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.Cl.Cl.Cl.FC(F)COc1nc2c(s1)CCNC2.NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.O=C(CC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1)c1ccnc2ccccc12
• InChI: InChI=1S/C27H31F2N3O2S.C21H33F2N3O3S.C16H25F2N3OS.C13H18F2N2O3S.C13H23NO3.C11H15ClN2O2S.C8H10F2N2OS.3ClH/c28-26(29)17-34-27-31-23-16-32(14-11-25(23)35-27)13-10-18-5-7-19(8-6-18)15-24(33)21-9-12-30-22-4-2-1-3-20(21)22;1-21(2,3)29-19(27)24-15-6-4-14(5-7-15)8-10-26-11-9-17-16(12-26)25-20(30-17)28-13-18(22)23;17-15(18)10-22-16-20-13-9-21(8-6-14(13)23-16)7-5-11-1-3-12(19)4-2-11;1-13(2,3)20-12(18)17-5-4-9-8(6-17)16-11(21-9)19-7-10(14)15;1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15;1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;9-7(10)4-13-8-12-5-3-11-2-1-6(5)14-8;;;/h1-4,9,12,18-19,26H,5-8,10-11,13-17H2;14-15,18H,4-13H2,1-3H3,(H,24,27);11-12,15H,1-10,19H2;10H,4-7H2,1-3H3;9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;7,11H,1-4H2;3*1H
• InChIKey: PYPPZSRXXDWTHL-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 354.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.75
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2sc(OCC(F)F)nc2C1.CC(C)(C)OC(=O)NC1CCC(CC=O)CC1.CC(C)(C)OC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.Cl.Cl.Cl.FC(F)COc1nc2c(s1)CCNC2.NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.O=C(CC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1)c1ccnc2ccccc12.

What is the InChIKey of 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?

The InChIKey is PYPPZSRXXDWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O2S.C21H33F2N3O3S.C16H25F2N3OS.C13H18F2N2O3S.C13H23NO3.C11H15ClN2O2S.C8H10F2N2OS.3ClH/c28-26(29)17-34-27-31-23-16-32(14-11-25(23)35-27)13-10-18-5-7-19(8-6-18)15-24(33)21-9-12-30-22-4-2-1-3-20(21)22;1-21(2,3)29-19(27)24-15-6-4-14(5-7-15)8-10-26-11-9-17-16(12-26)25-20(30-17)28-13-18(22)23;17-15(18)10-22-16-20-13-9-21(8-6-14(13)23-16)7-5-11-1-3-12(19)4-2-11;1-13(2,3)20-12(18)17-5-4-9-8(6-17)16-11(21-9)19-7-10(14)15;1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15;1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;9-7(10)4-13-8-12-5-3-11-2-1-6(5)14-8;;;/h1-4,9,12,18-19,26H,5-8,10-11,13-17H2;14-15,18H,4-13H2,1-3H3,(H,24,27);11-12,15H,1-10,19H2;10H,4-7H2,1-3H3;9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;7,11H,1-4H2;3*1H.

What are the key properties of 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?

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 has a molecular weight of 2456.75 g/mol, XLogP of 25.36, 31 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 169428196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).