2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol

C9H13NO2S — CID 130900900

IUPAC2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
SMILESCC1CC(O)(c2ccns2)C(C)O1
InChIInChI=1S/C9H13NO2S/c1-6-5-9(11,7(2)12-6)8-3-4-10-13-8/h3-4,6-7,11H,5H2,1-2H3
InChIKeyBHQSPVUTMYHDOM-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.53
Rot. Bonds1

About 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol

2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol (PubChem CID 130900900) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
PubChem CID130900900
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
SMILESCC1CC(O)(c2ccns2)C(C)O1
InChIInChI=1S/C9H13NO2S/c1-6-5-9(11,7(2)12-6)8-3-4-10-13-8/h3-4,6-7,11H,5H2,1-2H3
InChIKeyBHQSPVUTMYHDOM-UHFFFAOYSA-N
XLogP1.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Isothiazol-5-yl-1,4-dioxa-spiro[4.5]decan-8-ol
CID 59361591
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
CID 156788784
Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
CID 21271229
3-(3-Methyl-1,2-thiazol-5-yl)oxolan-3-ol
CID 126985746
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130802936
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
3-Methoxy-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130840880
6-(1,2-Thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130840884
7-Oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-5-yl)methanol
CID 130856150
2-(1,3-Dioxolan-2-yl)-1-(1,2-thiazol-5-yl)ethanol
CID 130874794
2-Ethyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 130917848
4-Methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
CID 130942700

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The IUPAC name of 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol (CID 130900900) is 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol.
What is the SMILES notation for 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The canonical SMILES for 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol is CC1CC(O)(c2ccns2)C(C)O1.
What is the InChIKey of 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The InChIKey is BHQSPVUTMYHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-5-9(11,7(2)12-6)8-3-4-10-13-8/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol has a molecular weight of 199.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol is sourced from PubChem (CID 130900900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).