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

C105H137Cl5N14O9S5 — CID 159897107

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;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

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 (PubChem CID 159897107) has the molecular formula C105H137Cl5N14O9S5 and a molecular weight of 2076.94 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;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.

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;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
• PubChem CID: 159897107
• Molecular Formula: C105H137Cl5N14O9S5
• Molecular Weight: 2076.94 g/mol
• Exact Mass: 2072.77
• 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;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
• 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.Clc1nc2c(s1)CCNC2.O=C(CC1CCC(CCN2CCc3sc(-c4ccccc4)nc3C2)CC1)c1cccc2ncccc12.O=C(CC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12
• InChI: InChI=1S/C31H33N3OS.C25H28ClN3OS.C19H30ClN3O2S.C13H23NO3.C11H15ClN2O2S.C6H7ClN2S.ClH/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;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);9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;8H,1-3H2;1H
• InChIKey: UUUGIVJQQPCTKU-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 269.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.94
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

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;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?

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;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) 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;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.

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;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?

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;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 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.Clc1nc2c(s1)CCNC2.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;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?

The InChIKey is UUUGIVJQQPCTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3OS.C25H28ClN3OS.C19H30ClN3O2S.C13H23NO3.C11H15ClN2O2S.C6H7ClN2S.ClH/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;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);9-11H,4-8H2,1-3H3,(H,14,16);4-6H2,1-3H3;8H,1-3H2;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;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?

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 has a molecular weight of 2076.94 g/mol, XLogP of 25.60, 20 rotatable bonds, 3 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 159897107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).