5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C14H20N4O2S — CID 166775151

IUPAC5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCCC1CC(CC)C(n2c(=O)sc3cnc(N)nc32)O1
InChIInChI=1S/C14H20N4O2S/c1-3-5-9-6-8(4-2)12(20-9)18-11-10(21-14(18)19)7-16-13(15)17-11/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyXSFIYTXXQFCYHI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.55
Rot. Bonds4

About 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 166775151) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID166775151
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCCC1CC(CC)C(n2c(=O)sc3cnc(N)nc32)O1
InChIInChI=1S/C14H20N4O2S/c1-3-5-9-6-8(4-2)12(20-9)18-11-10(21-14(18)19)7-16-13(15)17-11/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyXSFIYTXXQFCYHI-UHFFFAOYSA-N
XLogP2.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-(5-ethyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 143615324
[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
CID 24780399
(3S)-3-[(2S,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4-hydroxyoxolan-2-yl]-2-[(1S)-1-[(2S,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4-hydroxyoxolan-2-yl]propyl]pentanoic acid
CID 175189657
5-amino-3-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 71273177
1-[(2S,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4-hydroxyoxolan-2-yl]propyl acetate
CID 121396378
[(2R,3R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-ethyloxolan-3-yl] acetate;[(2R,3R,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one;methane
CID 159315028
3-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-amino-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 174436409
[(3R,5S)-5-[(1S)-1-acetyloxypropyl]-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-3-yl] acetate
CID 145154851
[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 70667580
[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-octoxyoxolan-2-yl]methyl acetate
CID 11612968
[(3R)-3-[(2R,3S,5S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butyl] hydrogen carbonate
CID 154030785
[(1R)-1-[(2R,3S)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]ethyl] 2,2-dimethylpropanoate
CID 163415459

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 166775151) is 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CCCC1CC(CC)C(n2c(=O)sc3cnc(N)nc32)O1.
What is the InChIKey of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is XSFIYTXXQFCYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-5-9-6-8(4-2)12(20-9)18-11-10(21-14(18)19)7-16-13(15)17-11/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 308.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 166775151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).