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

C23H32F2N4O2S — CID 158239676

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-methylpyrazol-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-methylpyrazol-1-yl)propan-2-one (PubChem CID 158239676) has the molecular formula C23H32F2N4O2S and a molecular weight of 466.60 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-methylpyrazol-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-methylpyrazol-1-yl)propan-2-one
• PubChem CID: 158239676
• Molecular Formula: C23H32F2N4O2S
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.22
• 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-methylpyrazol-1-yl)propan-2-one
• SMILES: Cc1ccn(CC(=O)CC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)n1
• InChI: InChI=1S/C23H32F2N4O2S/c1-16-6-11-29(27-16)13-19(30)12-18-4-2-17(3-5-18)7-9-28-10-8-21-20(14-28)26-23(32-21)31-15-22(24)25/h6,11,17-18,22H,2-5,7-10,12-15H2,1H3
• InChIKey: GFJVHTSTPCYSCL-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	4.51
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-methylpyrazol-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-methylpyrazol-1-yl)propan-2-one (CID 158239676) 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-methylpyrazol-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-methylpyrazol-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-methylpyrazol-1-yl)propan-2-one is Cc1ccn(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-methylpyrazol-1-yl)propan-2-one?

The InChIKey is GFJVHTSTPCYSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O2S/c1-16-6-11-29(27-16)13-19(30)12-18-4-2-17(3-5-18)7-9-28-10-8-21-20(14-28)26-23(32-21)31-15-22(24)25/h6,11,17-18,22H,2-5,7-10,12-15H2,1H3.

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-methylpyrazol-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-methylpyrazol-1-yl)propan-2-one has a molecular weight of 466.60 g/mol, XLogP of 4.51, 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-methylpyrazol-1-yl)propan-2-one is sourced from PubChem (CID 158239676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).