5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C11H14N4O4S — CID 71273164

IUPAC5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESNc1ncc2sc(=O)n(CC3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C11H14N4O4S/c12-10-13-2-8-9(14-10)15(11(18)20-8)3-5-1-6(17)7(4-16)19-5/h2,5-7,16-17H,1,3-4H2,(H2,12,13,14)/t5?,6-,7+/m0/s1
InChIKeyHWFKRNHIKSGBGY-BOJSHJERSA-N
MW298.32 g/mol
LogP-1.05
Rot. Bonds3

About 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 71273164) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID71273164
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESNc1ncc2sc(=O)n(CC3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C11H14N4O4S/c12-10-13-2-8-9(14-10)15(11(18)20-8)3-5-1-6(17)7(4-16)19-5/h2,5-7,16-17H,1,3-4H2,(H2,12,13,14)/t5?,6-,7+/m0/s1
InChIKeyHWFKRNHIKSGBGY-BOJSHJERSA-N
XLogP-1.05
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
[(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
5-amino-3-(5-ethyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 143615324
[(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
5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 166775151
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
5-amino-3-[(2R,3R,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 69337758
[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 70667580
2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enylpurin-8-one
CID 153283050
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
(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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 71273164) is 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one is Nc1ncc2sc(=O)n(CC3C[C@H](O)[C@@H](CO)O3)c2n1.
What is the InChIKey of 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is HWFKRNHIKSGBGY-BOJSHJERSA-N. The full InChI is InChI=1S/C11H14N4O4S/c12-10-13-2-8-9(14-10)15(11(18)20-8)3-5-1-6(17)7(4-16)19-5/h2,5-7,16-17H,1,3-4H2,(H2,12,13,14)/t5?,6-,7+/m0/s1.
What are the key properties of 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 298.32 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 71273164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).