(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol

C14H15NO3S — CID 102355154

IUPAC(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2csc(-c3ccccc3)n2)C[C@@H]1O
InChIInChI=1S/C14H15NO3S/c16-7-13-11(17)6-12(18-13)10-8-19-14(15-10)9-4-2-1-3-5-9/h1-5,8,11-13,16-17H,6-7H2/t11-,12-,13+/m0/s1
InChIKeyHWUHWRLPTOCWKZ-RWMBFGLXSA-N
MW277.34 g/mol
LogP1.99
Rot. Bonds3

About (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol

(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol (PubChem CID 102355154) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol
PubChem CID102355154
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2csc(-c3ccccc3)n2)C[C@@H]1O
InChIInChI=1S/C14H15NO3S/c16-7-13-11(17)6-12(18-13)10-8-19-14(15-10)9-4-2-1-3-5-9/h1-5,8,11-13,16-17H,6-7H2/t11-,12-,13+/m0/s1
InChIKeyHWUHWRLPTOCWKZ-RWMBFGLXSA-N
XLogP1.99
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol (CID 102355154) is (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol is OC[C@H]1O[C@H](c2csc(-c3ccccc3)n2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol?
The InChIKey is HWUHWRLPTOCWKZ-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-7-13-11(17)6-12(18-13)10-8-19-14(15-10)9-4-2-1-3-5-9/h1-5,8,11-13,16-17H,6-7H2/t11-,12-,13+/m0/s1.
What are the key properties of (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol?
(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol has a molecular weight of 277.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol is sourced from PubChem (CID 102355154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).