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

C9H13NO2S — CID 131020118

IUPAC2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol
SMILESOC(CC1CCOC1)c1ccsn1
InChIInChI=1S/C9H13NO2S/c11-9(8-2-4-13-10-8)5-7-1-3-12-6-7/h2,4,7,9,11H,1,3,5-6H2
InChIKeyZYXVOPWIACLYQO-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.60
Rot. Bonds3

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

2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 131020118) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol
PubChem CID131020118
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol
SMILESOC(CC1CCOC1)c1ccsn1
InChIInChI=1S/C9H13NO2S/c11-9(8-2-4-13-10-8)5-7-1-3-12-6-7/h2,4,7,9,11H,1,3,5-6H2
InChIKeyZYXVOPWIACLYQO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
3-Methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 130659054
(1-Methylcyclopentyl)-(1,2-thiazol-3-yl)methanol
CID 130706869
(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130715054
2-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 130718298
(4-Methylcyclohexyl)-(1,2-thiazol-3-yl)methanol
CID 130725484
2-Cyclobutyl-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 130727956
2-Cyclopropyl-1-(1,2-thiazol-3-yl)ethanol
CID 130736308
Oxolan-3-yl(1,2-thiazol-3-yl)methanol
CID 130854896
(2-Methylcyclohexyl)-(1,2-thiazol-3-yl)methanol
CID 130892426

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol (CID 131020118) is 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol is OC(CC1CCOC1)c1ccsn1.
What is the InChIKey of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is ZYXVOPWIACLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-9(8-2-4-13-10-8)5-7-1-3-12-6-7/h2,4,7,9,11H,1,3,5-6H2.
What are the key properties of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol?
2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 199.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 131020118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).