1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol

C9H13NO2S — CID 79823764

IUPAC1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)C1CCOC1
InChIInChI=1S/C9H13NO2S/c11-8(7-1-3-12-6-7)5-9-10-2-4-13-9/h2,4,7-8,11H,1,3,5-6H2
InChIKeyIVFIEXZHGMTNRD-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.08
Rot. Bonds3

About 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol

1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 79823764) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID79823764
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)C1CCOC1
InChIInChI=1S/C9H13NO2S/c11-8(7-1-3-12-6-7)5-9-10-2-4-13-9/h2,4,7-8,11H,1,3,5-6H2
InChIKeyIVFIEXZHGMTNRD-UHFFFAOYSA-N
XLogP1.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ribofuranosylthiazole
CID 70465211
(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol
CID 13009535
1-(1,3-Thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147413
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol
CID 103147692
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol
CID 53647107
2-[(3R)-3,4,5-trimethyloxolan-2-yl]-1,3-thiazole
CID 59274611
3-(1,3-Thiazol-2-yl)pentan-2-ol
CID 63201428
3-(1,3-Thiazol-2-yl)cyclohexan-1-ol
CID 67258389
3-(1,3-Thiazol-2-yl)oxan-4-ol
CID 67258700
2-(Hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol
CID 67745314
6-(1,3-Thiazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 69485851
2-(1,3-Thiazol-2-yl)cyclobutan-1-ol
CID 70009052

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol (CID 79823764) is 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol is OC(Cc1nccs1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is IVFIEXZHGMTNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-8(7-1-3-12-6-7)5-9-10-2-4-13-9/h2,4,7-8,11H,1,3,5-6H2.
What are the key properties of 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol?
1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 199.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 79823764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).