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

C9H13NO2S — CID 164652041

IUPAC5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
SMILESCCC1CC(O)(c2ccns2)CO1
InChIInChI=1S/C9H13NO2S/c1-2-7-5-9(11,6-12-7)8-3-4-10-13-8/h3-4,7,11H,2,5-6H2,1H3
InChIKeyMLPNFASRDTYPEI-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.53
Rot. Bonds2

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

5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol (PubChem CID 164652041) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol.

Molecular Properties

Compound Name5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
PubChem CID164652041
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
SMILESCCC1CC(O)(c2ccns2)CO1
InChIInChI=1S/C9H13NO2S/c1-2-7-5-9(11,6-12-7)8-3-4-10-13-8/h3-4,7,11H,2,5-6H2,1H3
InChIKeyMLPNFASRDTYPEI-UHFFFAOYSA-N
XLogP1.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
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
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
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
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
2,5-Dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
CID 130900900
2-Ethyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 130917848

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The IUPAC name of 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol (CID 164652041) is 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol.
What is the SMILES notation for 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The canonical SMILES for 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol is CCC1CC(O)(c2ccns2)CO1.
What is the InChIKey of 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The InChIKey is MLPNFASRDTYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-7-5-9(11,6-12-7)8-3-4-10-13-8/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol has a molecular weight of 199.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol is sourced from PubChem (CID 164652041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).