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

C119H161Cl8N17O9S6 — CID 160931588

About 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

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 (PubChem CID 160931588) has the molecular formula C119H161Cl8N17O9S6 and a molecular weight of 2449.73 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 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160931588
• Molecular Formula: C119H161Cl8N17O9S6
• Molecular Weight: 2449.73 g/mol
• Exact Mass: 2443.85
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)NC1CCC(CC=O)CC1.CC(C)(C)OC(=O)NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1.Cl.Cl.Cl.Clc1nc2c(s1)CCNC2.NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1.O=C(CC1CCC(CCN2CCc3sc(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12.O=C(CC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12
• InChI: InChI=1S/C31H33N3OS.C25H28ClN3OS.C19H30ClN3O2S.C14H22ClN3S.C13H23NO3.C11H15ClN2O2S.C6H7ClN2S.3ClH/c35-29(26-8-4-10-27-25(26)9-5-17-32-27)20-23-13-11-22(12-14-23)15-18-34-19-16-30-28(21-34)33-31(36-30)24-6-2-1-3-7-24;26-25-28-22-16-29(14-11-24(22)31-25)13-10-17-6-8-18(9-7-17)15-23(30)20-3-1-5-21-19(20)4-2-12-27-21;1-19(2,3)25-18(24)21-14-6-4-13(5-7-14)8-10-23-11-9-16-15(12-23)22-17(20)26-16;15-14-17-12-9-18(8-6-13(12)19-14)7-5-10-1-3-11(16)4-2-10;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;7-6-9-4-3-8-2-1-5(4)10-6;;;/h1-10,17,22-23H,11-16,18-21H2;1-5,12,17-18H,6-11,13-16H2;13-14H,4-12H2,1-3H3,(H,21,24);10-11H,1-9,16H2;9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;8H,1-3H2;3*1H
• InChIKey: MUIZSAKKINUXBH-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 311.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2449.73
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

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 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?

The IUPAC name of 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) is 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.

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 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)NC1CCC(CC=O)CC1.CC(C)(C)OC(=O)NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1.Cl.Cl.Cl.Clc1nc2c(s1)CCNC2.NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1.O=C(CC1CCC(CCN2CCc3sc(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12.O=C(CC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12.

What is the InChIKey of 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?

The InChIKey is MUIZSAKKINUXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3OS.C25H28ClN3OS.C19H30ClN3O2S.C14H22ClN3S.C13H23NO3.C11H15ClN2O2S.C6H7ClN2S.3ClH/c35-29(26-8-4-10-27-25(26)9-5-17-32-27)20-23-13-11-22(12-14-23)15-18-34-19-16-30-28(21-34)33-31(36-30)24-6-2-1-3-7-24;26-25-28-22-16-29(14-11-24(22)31-25)13-10-17-6-8-18(9-7-17)15-23(30)20-3-1-5-21-19(20)4-2-12-27-21;1-19(2,3)25-18(24)21-14-6-4-13(5-7-14)8-10-23-11-9-16-15(12-23)22-17(20)26-16;15-14-17-12-9-18(8-6-13(12)19-14)7-5-10-1-3-11(16)4-2-10;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;7-6-9-4-3-8-2-1-5(4)10-6;;;/h1-10,17,22-23H,11-16,18-21H2;1-5,12,17-18H,6-11,13-16H2;13-14H,4-12H2,1-3H3,(H,21,24);10-11H,1-9,16H2;9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;8H,1-3H2;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 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?

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 has a molecular weight of 2449.73 g/mol, XLogP of 29.50, 23 rotatable bonds, 4 hydrogen bond donors, and 29 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 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 is sourced from PubChem (CID 160931588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).