7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H15F3N4OS — CID 167781422

IUPAC7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCNC(CC(F)(F)F)C2)nc2sccn12
InChIInChI=1S/C13H15F3N4OS/c14-13(15,16)6-10-8-19(2-1-17-10)7-9-5-11(21)20-3-4-22-12(20)18-9/h3-5,10,17H,1-2,6-8H2
InChIKeyYKUYJDVHNLVGGL-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.48
Rot. Bonds3

About 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 167781422) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID167781422
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCNC(CC(F)(F)F)C2)nc2sccn12
InChIInChI=1S/C13H15F3N4OS/c14-13(15,16)6-10-8-19(2-1-17-10)7-9-5-11(21)20-3-4-22-12(20)18-9/h3-5,10,17H,1-2,6-8H2
InChIKeyYKUYJDVHNLVGGL-UHFFFAOYSA-N
XLogP1.48
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 167781422) is 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCNC(CC(F)(F)F)C2)nc2sccn12.
What is the InChIKey of 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YKUYJDVHNLVGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c14-13(15,16)6-10-8-19(2-1-17-10)7-9-5-11(21)20-3-4-22-12(20)18-9/h3-5,10,17H,1-2,6-8H2.
What are the key properties of 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 332.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 167781422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).