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

C51H58ClF3N8O3S2 — CID 158776164

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

N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 158776164) has the molecular formula C51H58ClF3N8O3S2 and a molecular weight of 987.66 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
• PubChem CID: 158776164
• Molecular Formula: C51H58ClF3N8O3S2
• Molecular Weight: 987.66 g/mol
• Exact Mass: 986.37
• IUPAC Name: N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
• SMILES: CC(Oc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4ncccc34)CC1)C2)C(F)(F)F.O=C(NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12
• InChI: InChI=1S/C27H31F3N4O2S.C24H27ClN4OS/c1-17(27(28,29)30)36-26-33-23-16-34(15-12-24(23)37-26)14-11-18-7-9-19(10-8-18)32-25(35)21-4-2-6-22-20(21)5-3-13-31-22;25-24-28-21-15-29(14-11-22(21)31-24)13-10-16-6-8-17(9-7-16)27-23(30)19-3-1-5-20-18(19)4-2-12-26-20/h2-6,13,17-19H,7-12,14-16H2,1H3,(H,32,35);1-5,12,16-17H,6-11,13-15H2,(H,27,30)
• InChIKey: IQMPATKGLHQHRN-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 125.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.66
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (CID 158776164) is N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide.

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

The canonical SMILES for N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is CC(Oc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3cccc4ncccc34)CC1)C2)C(F)(F)F.O=C(NC1CCC(CCN2CCc3sc(Cl)nc3C2)CC1)c1cccc2ncccc12.

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

The InChIKey is IQMPATKGLHQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O2S.C24H27ClN4OS/c1-17(27(28,29)30)36-26-33-23-16-34(15-12-24(23)37-26)14-11-18-7-9-19(10-8-18)32-25(35)21-4-2-6-22-20(21)5-3-13-31-22;25-24-28-21-15-29(14-11-22(21)31-24)13-10-16-6-8-17(9-7-16)27-23(30)19-3-1-5-20-18(19)4-2-12-26-20/h2-6,13,17-19H,7-12,14-16H2,1H3,(H,32,35);1-5,12,16-17H,6-11,13-15H2,(H,27,30).

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

N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 987.66 g/mol, XLogP of 10.84, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide;N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 158776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).