2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone

C53H60ClF3N6O3S2 — CID 160804129

About 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone

2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone (PubChem CID 160804129) has the molecular formula C53H60ClF3N6O3S2 and a molecular weight of 985.68 g/mol. Its IUPAC name is 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
• PubChem CID: 160804129
• Molecular Formula: C53H60ClF3N6O3S2
• Molecular Weight: 985.68 g/mol
• Exact Mass: 984.38
• IUPAC Name: 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone
• SMILES: CC(Oc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4ncccc34)CC1)C2)C(F)(F)F.O=C(CC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12
• InChI: InChI=1S/C28H32F3N3O2S.C25H28ClN3OS/c1-18(28(29,30)31)36-27-33-24-17-34(15-12-26(24)37-27)14-11-19-7-9-20(10-8-19)16-25(35)22-4-2-6-23-21(22)5-3-13-32-23;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/h2-6,13,18-20H,7-12,14-17H2,1H3;1-5,12,17-18H,6-11,13-16H2
• InChIKey: SDLSSHZJJPSNGB-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 101.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	985.68
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?

The IUPAC name of 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone (CID 160804129) is 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone.

What is the SMILES notation for 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?

The canonical SMILES for 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone is CC(Oc1nc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4ncccc34)CC1)C2)C(F)(F)F.O=C(CC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12.

What is the InChIKey of 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?

The InChIKey is SDLSSHZJJPSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O2S.C25H28ClN3OS/c1-18(28(29,30)31)36-27-33-24-17-34(15-12-26(24)37-27)14-11-19-7-9-20(10-8-19)16-25(35)22-4-2-6-23-21(22)5-3-13-32-23;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/h2-6,13,18-20H,7-12,14-17H2,1H3;1-5,12,17-18H,6-11,13-16H2.

What are the key properties of 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone?

2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone has a molecular weight of 985.68 g/mol, XLogP of 13.02, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-quinolin-5-yl-2-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]ethanone is sourced from PubChem (CID 160804129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).