5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C12H16N4O6S — CID 91371043

IUPAC5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCOc1nc(N)nc2c1sc(=O)n2[C@@]1(O)CO[C@H](CO)[C@H]1O
InChIInChI=1S/C12H16N4O6S/c1-2-21-9-6-8(14-10(13)15-9)16(11(19)23-6)12(20)4-22-5(3-17)7(12)18/h5,7,17-18,20H,2-4H2,1H3,(H2,13,14,15)/t5-,7-,12-/m1/s1
InChIKeyYVKDKAGWMCQMEY-FNWIRMAGSA-N
MW344.35 g/mol
LogP-1.77
Rot. Bonds4

About 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 91371043) has the molecular formula C12H16N4O6S and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID91371043
Molecular FormulaC12H16N4O6S
Molecular Weight344.35 g/mol
Exact Mass344.08
IUPAC Name5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCOc1nc(N)nc2c1sc(=O)n2[C@@]1(O)CO[C@H](CO)[C@H]1O
InChIInChI=1S/C12H16N4O6S/c1-2-21-9-6-8(14-10(13)15-9)16(11(19)23-6)12(20)4-22-5(3-17)7(12)18/h5,7,17-18,20H,2-4H2,1H3,(H2,13,14,15)/t5-,7-,12-/m1/s1
InChIKeyYVKDKAGWMCQMEY-FNWIRMAGSA-N
XLogP-1.77
TPSA152.95 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[[5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxymethyl]-N-methylcarbamate
CID 90779370
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 11617448
ethyl N-[[5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxymethyl]carbamate
CID 11373426
5-(2-amino-6-ethoxypurin-9-yl)-4,4-dichloro-2-(hydroxymethyl)oxolan-3-ol
CID 123846486
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 66576345
(2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 118391681
(2R,3R,4S)-4-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 137419899
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 10215716
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90445106
4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one
CID 123521355
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 10215379
5-amino-3-[(2R,3R,4R,5R)-3,4-bis(triethylsilyloxy)-5-(triethylsilyloxymethyl)oxolan-2-yl]-7-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 66707741

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 91371043) is 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CCOc1nc(N)nc2c1sc(=O)n2[C@@]1(O)CO[C@H](CO)[C@H]1O.
What is the InChIKey of 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is YVKDKAGWMCQMEY-FNWIRMAGSA-N. The full InChI is InChI=1S/C12H16N4O6S/c1-2-21-9-6-8(14-10(13)15-9)16(11(19)23-6)12(20)4-22-5(3-17)7(12)18/h5,7,17-18,20H,2-4H2,1H3,(H2,13,14,15)/t5-,7-,12-/m1/s1.
What are the key properties of 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 344.35 g/mol, XLogP of -1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 91371043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).