2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C13H18F3N3OS — CID 141320962

IUPAC2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)CN1CCC(Oc2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)8-19-5-2-9(3-6-19)20-12-18-10-1-4-17-7-11(10)21-12/h9,17H,1-8H2
InChIKeyHCKMDKQIXVSJPF-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.19
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 141320962) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID141320962
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)CN1CCC(Oc2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)8-19-5-2-9(3-6-19)20-12-18-10-1-4-17-7-11(10)21-12/h9,17H,1-8H2
InChIKeyHCKMDKQIXVSJPF-UHFFFAOYSA-N
XLogP2.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 141320962) is 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is FC(F)(F)CN1CCC(Oc2nc3c(s2)CNCC3)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is HCKMDKQIXVSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c14-13(15,16)8-19-5-2-9(3-6-19)20-12-18-10-1-4-17-7-11(10)21-12/h9,17H,1-8H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 321.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 141320962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).