1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one

C24H34F2N4O2S — CID 159210563

About 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one

1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one (PubChem CID 159210563) has the molecular formula C24H34F2N4O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one
• PubChem CID: 159210563
• Molecular Formula: C24H34F2N4O2S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.24
• IUPAC Name: 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one
• SMILES: Cc1cc(C)n(CC(=O)CC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)n1
• InChI: InChI=1S/C24H34F2N4O2S/c1-16-11-17(2)30(28-16)13-20(31)12-19-5-3-18(4-6-19)7-9-29-10-8-22-21(14-29)27-24(33-22)32-15-23(25)26/h11,18-19,23H,3-10,12-15H2,1-2H3
• InChIKey: KQLAWHRJCQWRNE-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one?

The IUPAC name of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one (CID 159210563) is 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one.

What is the SMILES notation for 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one?

The canonical SMILES for 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one is Cc1cc(C)n(CC(=O)CC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)n1.

What is the InChIKey of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one?

The InChIKey is KQLAWHRJCQWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4O2S/c1-16-11-17(2)30(28-16)13-20(31)12-19-5-3-18(4-6-19)7-9-29-10-8-22-21(14-29)27-24(33-22)32-15-23(25)26/h11,18-19,23H,3-10,12-15H2,1-2H3.

What are the key properties of 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one?

1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one has a molecular weight of 480.63 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one is sourced from PubChem (CID 159210563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).