1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one

C16H22F3N3O2S — CID 66611226

IUPAC1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(OC3CCN(CC(F)(F)F)CC3)sc2C1
InChIInChI=1S/C16H22F3N3O2S/c1-2-14(23)22-8-5-12-13(9-22)25-15(20-12)24-11-3-6-21(7-4-11)10-16(17,18)19/h11H,2-10H2,1H3
InChIKeyOJTWDLYGKPIEGH-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one

1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (PubChem CID 66611226) has the molecular formula C16H22F3N3O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
PubChem CID66611226
Molecular FormulaC16H22F3N3O2S
Molecular Weight377.43 g/mol
Exact Mass377.14
IUPAC Name1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(OC3CCN(CC(F)(F)F)CC3)sc2C1
InChIInChI=1S/C16H22F3N3O2S/c1-2-14(23)22-8-5-12-13(9-22)25-15(20-12)24-11-3-6-21(7-4-11)10-16(17,18)19/h11H,2-10H2,1H3
InChIKeyOJTWDLYGKPIEGH-UHFFFAOYSA-N
XLogP2.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (CID 66611226) is 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2nc(OC3CCN(CC(F)(F)F)CC3)sc2C1.
What is the InChIKey of 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The InChIKey is OJTWDLYGKPIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2S/c1-2-14(23)22-8-5-12-13(9-22)25-15(20-12)24-11-3-6-21(7-4-11)10-16(17,18)19/h11H,2-10H2,1H3.
What are the key properties of 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one has a molecular weight of 377.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 66611226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).