5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

C11H12N4O5S — CID 143247513

IUPAC5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESNc1nc2c(sc(=O)n2[C@@H]2O[C@H](CCO)CC2=O)c(=O)[nH]1
InChIInChI=1S/C11H12N4O5S/c12-10-13-7-6(8(18)14-10)21-11(19)15(7)9-5(17)3-4(20-9)1-2-16/h4,9,16H,1-3H2,(H3,12,13,14,18)/t4-,9-/m1/s1
InChIKeyGCRUIFIZBDEWKW-ALFREKQPSA-N
MW312.31 g/mol
LogP-1.03
Rot. Bonds3

About 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (PubChem CID 143247513) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
PubChem CID143247513
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESNc1nc2c(sc(=O)n2[C@@H]2O[C@H](CCO)CC2=O)c(=O)[nH]1
InChIInChI=1S/C11H12N4O5S/c12-10-13-7-6(8(18)14-10)21-11(19)15(7)9-5(17)3-4(20-9)1-2-16/h4,9,16H,1-3H2,(H3,12,13,14,18)/t4-,9-/m1/s1
InChIKeyGCRUIFIZBDEWKW-ALFREKQPSA-N
XLogP-1.03
TPSA140.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione with MolForge

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Related Compounds

[(2R,3R,5S)-2-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 135453230
5-amino-3-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137176980
5-amino-3-[(2R,4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 147154349
5-amino-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 171395660
5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 135850829
5-amino-3-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 135438497
5-amino-3-[3-[cyclopropyl(hydroxy)methyl]-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 166775130
5-amino-3-[(2R,3S)-3-[cyclopropyl(hydroxy)methyl]-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 149033705
5-amino-3-[(2R,3S,5R)-5-ethyl-3-(2-hydroxypropan-2-yl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 162121995
5-amino-3-[(2R,3S,4R,5R)-3-ethenyl-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 143247423
5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane
CID 143018180
5-amino-3-[5-(1-hydroxypropyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 145414487

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (CID 143247513) is 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is Nc1nc2c(sc(=O)n2[C@@H]2O[C@H](CCO)CC2=O)c(=O)[nH]1.
What is the InChIKey of 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The InChIKey is GCRUIFIZBDEWKW-ALFREKQPSA-N. The full InChI is InChI=1S/C11H12N4O5S/c12-10-13-7-6(8(18)14-10)21-11(19)15(7)9-5(17)3-4(20-9)1-2-16/h4,9,16H,1-3H2,(H3,12,13,14,18)/t4-,9-/m1/s1.
What are the key properties of 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione has a molecular weight of 312.31 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 143247513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).