5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

C15H21F3N2O2S — CID 145451313

IUPAC5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)COc1nc2c(s1)CCN(CC[C@H]1CCCCO1)C2
InChIInChI=1S/C15H21F3N2O2S/c16-15(17,18)10-22-14-19-12-9-20(7-5-13(12)23-14)6-4-11-3-1-2-8-21-11/h11H,1-10H2/t11-/m1/s1
InChIKeyBSKFOYBRVQDLDK-LLVKDONJSA-N
MW350.41 g/mol
LogP3.40
Rot. Bonds5

About 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 145451313) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID145451313
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC Name5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)COc1nc2c(s1)CCN(CC[C@H]1CCCCO1)C2
InChIInChI=1S/C15H21F3N2O2S/c16-15(17,18)10-22-14-19-12-9-20(7-5-13(12)23-14)6-4-11-3-1-2-8-21-11/h11H,1-10H2/t11-/m1/s1
InChIKeyBSKFOYBRVQDLDK-LLVKDONJSA-N
XLogP3.40
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 145451313) is 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is FC(F)(F)COc1nc2c(s1)CCN(CC[C@H]1CCCCO1)C2.
What is the InChIKey of 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is BSKFOYBRVQDLDK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c16-15(17,18)10-22-14-19-12-9-20(7-5-13(12)23-14)6-4-11-3-1-2-8-21-11/h11H,1-10H2/t11-/m1/s1.
What are the key properties of 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 350.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-oxan-2-yl]ethyl]-2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 145451313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).