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

C23H32F2N4O2S2 — CID 158266892

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

1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one (PubChem CID 158266892) has the molecular formula C23H32F2N4O2S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one
• PubChem CID: 158266892
• Molecular Formula: C23H32F2N4O2S2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.19
• IUPAC Name: 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one
• SMILES: Cc1nsc(CC(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1
• InChI: InChI=1S/C23H32F2N4O2S2/c1-15-26-21(33-28-15)12-18(30)11-17-5-3-16(4-6-17)7-9-29-10-8-20-19(13-29)27-22(32-20)31-14-23(2,24)25/h16-17H,3-14H2,1-2H3
• InChIKey: GIOFLZISWJVLHP-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 68.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one (CID 158266892) is 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one.

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

The canonical SMILES for 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one is Cc1nsc(CC(=O)CC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1.

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

The InChIKey is GIOFLZISWJVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O2S2/c1-15-26-21(33-28-15)12-18(30)11-17-5-3-16(4-6-17)7-9-29-10-8-20-19(13-29)27-22(32-20)31-14-23(2,24)25/h16-17H,3-14H2,1-2H3.

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

1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one has a molecular weight of 498.67 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-one is sourced from PubChem (CID 158266892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).