5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione

C11H12N2O4S2 — CID 156737114

IUPAC5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
SMILESOC[C@H]1O[C@@H](n2ccc3ncsc3c2=S)C(O)C1O
InChIInChI=1S/C11H12N2O4S2/c14-3-6-7(15)8(16)10(17-6)13-2-1-5-9(11(13)18)19-4-12-5/h1-2,4,6-8,10,14-16H,3H2/t6-,7?,8?,10-/m1/s1
InChIKeySOVKREWNFYXEME-NPDIDSPYSA-N
MW300.36 g/mol
LogP0.44
Rot. Bonds2

About 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione

5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione (PubChem CID 156737114) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione.

Molecular Properties

Compound Name5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
PubChem CID156737114
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
SMILESOC[C@H]1O[C@@H](n2ccc3ncsc3c2=S)C(O)C1O
InChIInChI=1S/C11H12N2O4S2/c14-3-6-7(15)8(16)10(17-6)13-2-1-5-9(11(13)18)19-4-12-5/h1-2,4,6-8,10,14-16H,3H2/t6-,7?,8?,10-/m1/s1
InChIKeySOVKREWNFYXEME-NPDIDSPYSA-N
XLogP0.44
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
CID 156737100
[(2R,3S,5R)-5-ethyl-4-methyl-2-(4-sulfanylidene-[1,3]thiazolo[5,4-c]pyridin-5-yl)oxolan-3-yl] benzoate
CID 157339339
1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione
CID 126968586
(2R,4S,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol
CID 162472621
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
CID 46500308
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 3032615
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
CID 57375564
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
6-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
CID 136808319
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 142650218
(2R,3S,4S)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 70508300
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The IUPAC name of 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione (CID 156737114) is 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione.
What is the SMILES notation for 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The canonical SMILES for 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione is OC[C@H]1O[C@@H](n2ccc3ncsc3c2=S)C(O)C1O.
What is the InChIKey of 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
The InChIKey is SOVKREWNFYXEME-NPDIDSPYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c14-3-6-7(15)8(16)10(17-6)13-2-1-5-9(11(13)18)19-4-12-5/h1-2,4,6-8,10,14-16H,3H2/t6-,7?,8?,10-/m1/s1.
What are the key properties of 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione?
5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione has a molecular weight of 300.36 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione is sourced from PubChem (CID 156737114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).