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

C14H19N5O5S — CID 10215716

IUPAC5-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
SMILESNc1nc(N2CCCC2)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C14H19N5O5S/c15-13-16-10(18-3-1-2-4-18)9-11(17-13)19(14(23)25-9)12-8(22)7(21)6(5-20)24-12/h6-8,12,20-22H,1-5H2,(H2,15,16,17)/t6-,7-,8-,12-/m1/s1
InChIKeySNPWSKDVXQWMEP-BMYQGPEFSA-N
MW369.40 g/mol
LogP-1.35
Rot. Bonds3

About 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

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 (PubChem CID 10215716) has the molecular formula C14H19N5O5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID10215716
Molecular FormulaC14H19N5O5S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC Name5-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
SMILESNc1nc(N2CCCC2)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C14H19N5O5S/c15-13-16-10(18-3-1-2-4-18)9-11(17-13)19(14(23)25-9)12-8(22)7(21)6(5-20)24-12/h6-8,12,20-22H,1-5H2,(H2,15,16,17)/t6-,7-,8-,12-/m1/s1
InChIKeySNPWSKDVXQWMEP-BMYQGPEFSA-N
XLogP-1.35
TPSA146.96 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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,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,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 71273177
(2R,3R,4S,5R)-2-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 126630351
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
4,6-diamino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 176652801
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
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 59685925
[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 10195657
(2R,3S,4S,5S)-2-(6-amino-8-piperidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 40527691
[(2R,3S,4R,5R)-5-[5-amino-7-(methylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 10238125

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(N2CCCC2)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.
What is the InChIKey of 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?
The InChIKey is SNPWSKDVXQWMEP-BMYQGPEFSA-N. The full InChI is InChI=1S/C14H19N5O5S/c15-13-16-10(18-3-1-2-4-18)9-11(17-13)19(14(23)25-9)12-8(22)7(21)6(5-20)24-12/h6-8,12,20-22H,1-5H2,(H2,15,16,17)/t6-,7-,8-,12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 369.40 g/mol, XLogP of -1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10215716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).