5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C13H18N4O4S — CID 121465413

IUPAC5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCOC(C)[C@@H]1C[C@H](O)[C@H](n2c(=O)sc3c(C)nc(N)nc32)O1
InChIInChI=1S/C13H18N4O4S/c1-5-9-10(16-12(14)15-5)17(13(19)22-9)11-7(18)4-8(21-11)6(2)20-3/h6-8,11,18H,4H2,1-3H3,(H2,14,15,16)/t6?,7-,8-,11+/m0/s1
InChIKeyIQEGOLWVUAYVRX-QJIUWPIXSA-N
MW326.38 g/mol
LogP0.43
Rot. Bonds3

About 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 121465413) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID121465413
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCOC(C)[C@@H]1C[C@H](O)[C@H](n2c(=O)sc3c(C)nc(N)nc32)O1
InChIInChI=1S/C13H18N4O4S/c1-5-9-10(16-12(14)15-5)17(13(19)22-9)11-7(18)4-8(21-11)6(2)20-3/h6-8,11,18H,4H2,1-3H3,(H2,14,15,16)/t6?,7-,8-,11+/m0/s1
InChIKeyIQEGOLWVUAYVRX-QJIUWPIXSA-N
XLogP0.43
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

5-amino-3-[(5S)-3-(2-hydroxypropan-2-yl)-5-[(1S)-1-methoxyethyl]oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 134391450
5-amino-3-[(2R,3R,5S)-3-hydroxy-5-(1-hydroxy-2-methoxyethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137108711
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-amino-7-methyl-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 59346356
[(2R,3R,5R)-3,4-diacetyloxy-5-(5-amino-7-methyl-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 59644814
5-amino-3-[(2R,3R,5S)-3-hydroxy-5-(1-hydroxypropyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137108721
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
2-[(2S,4S,5R)-5-(5-amino-7-methyl-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-[(1S)-1-hydroxyethyl]-1,3-oxathiolan-4-yl]acetic acid
CID 134310335
(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,3R,5S)-3-hydroxy-5-(1-hydroxybutyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137108736
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
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,5R)-5-(5-amino-7-methyl-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-1,3-oxathiolane-2-carboxylate
CID 130287558
[(1R)-1-[(2R,3S)-2-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]ethyl] benzoate
CID 145185603

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 121465413) is 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one is COC(C)[C@@H]1C[C@H](O)[C@H](n2c(=O)sc3c(C)nc(N)nc32)O1.
What is the InChIKey of 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is IQEGOLWVUAYVRX-QJIUWPIXSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-5-9-10(16-12(14)15-5)17(13(19)22-9)11-7(18)4-8(21-11)6(2)20-3/h6-8,11,18H,4H2,1-3H3,(H2,14,15,16)/t6?,7-,8-,11+/m0/s1.
What are the key properties of 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 326.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2R,3S,5S)-3-hydroxy-5-(1-methoxyethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 121465413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).