(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol

C8H11NO3S — CID 13009535

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2nccs2)C[C@@H]1O
InChIInChI=1S/C8H11NO3S/c10-4-7-5(11)3-6(12-7)8-9-1-2-13-8/h1-2,5-7,10-11H,3-4H2/t5-,6+,7+/m0/s1
InChIKeyMSESKVNHKUFJMM-RRKCRQDMSA-N
MW201.25 g/mol
LogP0.33
Rot. Bonds2

About (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol

(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol (PubChem CID 13009535) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol
PubChem CID13009535
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2nccs2)C[C@@H]1O
InChIInChI=1S/C8H11NO3S/c10-4-7-5(11)3-6(12-7)8-9-1-2-13-8/h1-2,5-7,10-11H,3-4H2/t5-,6+,7+/m0/s1
InChIKeyMSESKVNHKUFJMM-RRKCRQDMSA-N
XLogP0.33
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol (CID 13009535) is (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol is OC[C@H]1O[C@@H](c2nccs2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol?
The InChIKey is MSESKVNHKUFJMM-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-4-7-5(11)3-6(12-7)8-9-1-2-13-8/h1-2,5-7,10-11H,3-4H2/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol?
(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol has a molecular weight of 201.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol is sourced from PubChem (CID 13009535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).