1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol

C9H13NO2S — CID 65328718

IUPAC1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCCO2)n1
InChIInChI=1S/C9H13NO2S/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h5-6,8,11H,2-4H2,1H3
InChIKeySZPBKLSOEYDVFP-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.05
Rot. Bonds2

About 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol

1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 65328718) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID65328718
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCCO2)n1
InChIInChI=1S/C9H13NO2S/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h5-6,8,11H,2-4H2,1H3
InChIKeySZPBKLSOEYDVFP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol (CID 65328718) is 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C2CCCO2)n1.
What is the InChIKey of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is SZPBKLSOEYDVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h5-6,8,11H,2-4H2,1H3.
What are the key properties of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol?
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 199.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 65328718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).