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

C21H33F2N3O2S — CID 138670825

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

N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide (PubChem CID 138670825) has the molecular formula C21H33F2N3O2S and a molecular weight of 429.58 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide
• PubChem CID: 138670825
• Molecular Formula: C21H33F2N3O2S
• Molecular Weight: 429.58 g/mol
• Exact Mass: 429.23
• IUPAC Name: N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide
• SMILES: CCCCC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
• InChI: InChI=1S/C21H33F2N3O2S/c1-2-3-4-20(27)24-16-7-5-15(6-8-16)9-11-26-12-10-18-17(13-26)25-21(29-18)28-14-19(22)23/h15-16,19H,2-14H2,1H3,(H,24,27)
• InChIKey: HJNKFMGXPNEVDF-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.58
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide (CID 138670825) is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide.

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

The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide is CCCCC(=O)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.

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

The InChIKey is HJNKFMGXPNEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F2N3O2S/c1-2-3-4-20(27)24-16-7-5-15(6-8-16)9-11-26-12-10-18-17(13-26)25-21(29-18)28-14-19(22)23/h15-16,19H,2-14H2,1H3,(H,24,27).

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

N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide has a molecular weight of 429.58 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide is sourced from PubChem (CID 138670825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).