4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one

C25H33F2N3O3S — CID 162171065

About 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one

4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one (PubChem CID 162171065) has the molecular formula C25H33F2N3O3S and a molecular weight of 493.62 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one
• PubChem CID: 162171065
• Molecular Formula: C25H33F2N3O3S
• Molecular Weight: 493.62 g/mol
• Exact Mass: 493.22
• IUPAC Name: 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one
• SMILES: Cn1ccc(C(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)cc1=O
• InChI: InChI=1S/C25H33F2N3O3S/c1-25(26,27)16-33-24-28-20-15-30(12-9-22(20)34-24)11-7-17-3-5-18(6-4-17)13-21(31)19-8-10-29(2)23(32)14-19/h8,10,14,17-18H,3-7,9,11-13,15-16H2,1-2H3
• InChIKey: ZNUHYWXUJUHBSH-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 64.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.62
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one (CID 162171065) is 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one.

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

The canonical SMILES for 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)cc1=O.

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

The InChIKey is ZNUHYWXUJUHBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N3O3S/c1-25(26,27)16-33-24-28-20-15-30(12-9-22(20)34-24)11-7-17-3-5-18(6-4-17)13-21(31)19-8-10-29(2)23(32)14-19/h8,10,14,17-18H,3-7,9,11-13,15-16H2,1-2H3.

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

4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one has a molecular weight of 493.62 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-1-methylpyridin-2-one is sourced from PubChem (CID 162171065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).