tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride

C86H104Cl2F15N15O12S6 — CID 159486803

About tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride

tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride (PubChem CID 159486803) has the molecular formula C86H104Cl2F15N15O12S6 and a molecular weight of 2088.15 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-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
• PubChem CID: 159486803
• Molecular Formula: C86H104Cl2F15N15O12S6
• Molecular Weight: 2088.15 g/mol
• Exact Mass: 2085.55
• IUPAC Name: tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2sc(OCC(F)(F)F)nc2C1.Cl.FC(F)(F)COc1nc2c(s1)CCNC2.NCCCCN1CCc2sc(OCC(F)(F)F)nc2C1.O=C(CCCCCN1CCc2sc(OCC(F)(F)F)nc2C1)c1cc2ccccc2[nH]1.O=C1c2ccccc2C(=O)N1CCCCN1CCc2sc(OCC(F)(F)F)nc2C1
• InChI: InChI=1S/C22H24F3N3O2S.C20H20F3N3O3S.C13H17F3N2O3S.C12H18F3N3OS.C11H15ClN2O2S.C8H9F3N2OS.ClH/c23-22(24,25)14-30-21-27-18-13-28(11-9-20(18)31-21)10-5-1-2-8-19(29)17-12-15-6-3-4-7-16(15)26-17;21-20(22,23)12-29-19-24-15-11-25(10-7-16(15)30-19)8-3-4-9-26-17(27)13-5-1-2-6-14(13)18(26)28;1-12(2,3)21-11(19)18-5-4-9-8(6-18)17-10(22-9)20-7-13(14,15)16;13-12(14,15)8-19-11-17-9-7-18(5-2-1-4-16)6-3-10(9)20-11;1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;9-8(10,11)4-14-7-13-5-3-12-2-1-6(5)15-7;/h3-4,6-7,12,26H,1-2,5,8-11,13-14H2;1-2,5-6H,3-4,7-12H2;4-7H2,1-3H3;1-8,16H2;4-6H2,1-3H3;12H,1-4H2;1H
• InChIKey: XEEDGWIEOXSIJO-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 300.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.15
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', '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-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?

The IUPAC name of tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride (CID 159486803) is tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;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 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?

The canonical SMILES for tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride is CC(C)(C)OC(=O)N1CCc2sc(Cl)nc2C1.CC(C)(C)OC(=O)N1CCc2sc(OCC(F)(F)F)nc2C1.Cl.FC(F)(F)COc1nc2c(s1)CCNC2.NCCCCN1CCc2sc(OCC(F)(F)F)nc2C1.O=C(CCCCCN1CCc2sc(OCC(F)(F)F)nc2C1)c1cc2ccccc2[nH]1.O=C1c2ccccc2C(=O)N1CCCCN1CCc2sc(OCC(F)(F)F)nc2C1.

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-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?

The InChIKey is XEEDGWIEOXSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2S.C20H20F3N3O3S.C13H17F3N2O3S.C12H18F3N3OS.C11H15ClN2O2S.C8H9F3N2OS.ClH/c23-22(24,25)14-30-21-27-18-13-28(11-9-20(18)31-21)10-5-1-2-8-19(29)17-12-15-6-3-4-7-16(15)26-17;21-20(22,23)12-29-19-24-15-11-25(10-7-16(15)30-19)8-3-4-9-26-17(27)13-5-1-2-6-14(13)18(26)28;1-12(2,3)21-11(19)18-5-4-9-8(6-18)17-10(22-9)20-7-13(14,15)16;13-12(14,15)8-19-11-17-9-7-18(5-2-1-4-16)6-3-10(9)20-11;1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8;9-8(10,11)4-14-7-13-5-3-12-2-1-6(5)15-7;/h3-4,6-7,12,26H,1-2,5,8-11,13-14H2;1-2,5-6H,3-4,7-12H2;4-7H2,1-3H3;1-8,16H2;4-6H2,1-3H3;12H,1-4H2;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-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?

tert-butyl 2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 2088.15 g/mol, XLogP of 19.69, 26 rotatable bonds, 3 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 2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate;1-(1H-indol-2-yl)-6-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]hexan-1-one;4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine;2-[4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]isoindole-1,3-dione;2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 159486803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).