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

C25H34F2N4O2S — CID 157069785

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

1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one (PubChem CID 157069785) has the molecular formula C25H34F2N4O2S and a molecular weight of 492.64 g/mol. Its IUPAC name is 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one
• PubChem CID: 157069785
• Molecular Formula: C25H34F2N4O2S
• Molecular Weight: 492.64 g/mol
• Exact Mass: 492.24
• IUPAC Name: 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one
• SMILES: Cc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C(F)F)C5)nc4C3)CC2)on1
• InChI: InChI=1S/C25H34F2N4O2S/c1-16-10-21(33-29-16)12-20(32)11-18-4-2-17(3-5-18)6-8-30-9-7-23-22(15-30)28-25(34-23)31-13-19(14-31)24(26)27/h10,17-19,24H,2-9,11-15H2,1H3
• InChIKey: ACHGKDUVPHUVLQ-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 62.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one (CID 157069785) is 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one.

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

The canonical SMILES for 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one is Cc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C(F)F)C5)nc4C3)CC2)on1.

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

The InChIKey is ACHGKDUVPHUVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N4O2S/c1-16-10-21(33-29-16)12-20(32)11-18-4-2-17(3-5-18)6-8-30-9-7-23-22(15-30)28-25(34-23)31-13-19(14-31)24(26)27/h10,17-19,24H,2-9,11-15H2,1H3.

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

1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one has a molecular weight of 492.64 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 157069785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).