7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H13F2N3O2S — CID 107485475

IUPAC7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2sccn12
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)7-15(1-3-17)6-8-5-10(18)16-2-4-19-11(16)14-8/h2,4-5,9,17H,1,3,6-7H2
InChIKeyLIQYLABHSQLNKG-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.82
Rot. Bonds6

About 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 107485475) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID107485475
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2sccn12
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)7-15(1-3-17)6-8-5-10(18)16-2-4-19-11(16)14-8/h2,4-5,9,17H,1,3,6-7H2
InChIKeyLIQYLABHSQLNKG-UHFFFAOYSA-N
XLogP0.82
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-((Ethyl(2-hydroxyethyl)amino)methyl)-5h-thiazolo[3,2-a]pyrimidin-5-one
CID 43074730
3-(2-Hydroxyethyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
CID 140183324
7-[[3-Hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60256721
7-[[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60303278
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262461
7-[(3,3,3-Trifluoro-2-hydroxypropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86807069
7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99832529
7-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99832530
7-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 107485086
7-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 107485160
7-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 107485773
7-[[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 109967554

Frequently Asked Questions

What is the IUPAC name of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 107485475) is 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN(CCO)CC(F)F)nc2sccn12.
What is the InChIKey of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LIQYLABHSQLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c12-9(13)7-15(1-3-17)6-8-5-10(18)16-2-4-19-11(16)14-8/h2,4-5,9,17H,1,3,6-7H2.
What are the key properties of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 289.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 107485475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).