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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[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
SMILESCc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C(F)F)C5)nc4C3)CC2)on1
InChIInChI=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
InChIKeyACHGKDUVPHUVLQ-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.90
Rot. Bonds9

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 Name1-[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 CID157069785
Molecular FormulaC25H34F2N4O2S
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC Name1-[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
SMILESCc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C(F)F)C5)nc4C3)CC2)on1
InChIInChI=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
InChIKeyACHGKDUVPHUVLQ-UHFFFAOYSA-N
XLogP4.90
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).

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