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

C25H30F2N4O2S — CID 138671361

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

2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138671361) has the molecular formula C25H30F2N4O2S and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
• PubChem CID: 138671361
• Molecular Formula: C25H30F2N4O2S
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.21
• IUPAC Name: 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
• SMILES: N#Cc1ccc(CC(=O)NC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)cc1
• InChI: InChI=1S/C25H30F2N4O2S/c26-23(27)16-33-25-30-21-15-31(12-10-22(21)34-25)11-9-17-5-7-20(8-6-17)29-24(32)13-18-1-3-19(14-28)4-2-18/h1-4,17,20,23H,5-13,15-16H2,(H,29,32)
• InChIKey: BIGMHTLANXQTTQ-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 78.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138671361) is 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

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

The canonical SMILES for 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is N#Cc1ccc(CC(=O)NC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)cc1.

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

The InChIKey is BIGMHTLANXQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O2S/c26-23(27)16-33-25-30-21-15-31(12-10-22(21)34-25)11-9-17-5-7-20(8-6-17)29-24(32)13-18-1-3-19(14-28)4-2-18/h1-4,17,20,23H,5-13,15-16H2,(H,29,32).

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

2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 488.60 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138671361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).