1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol

C9H13NO2S2 — CID 164654930

IUPAC1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol
SMILESOC(Cc1ccns1)C1CSCCO1
InChIInChI=1S/C9H13NO2S2/c11-8(5-7-1-2-10-14-7)9-6-13-4-3-12-9/h1-2,8-9,11H,3-6H2
InChIKeyKOUUXNVKMRFXGN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.18
Rot. Bonds3

About 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol

1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol (PubChem CID 164654930) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol
PubChem CID164654930
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol
SMILESOC(Cc1ccns1)C1CSCCO1
InChIInChI=1S/C9H13NO2S2/c11-8(5-7-1-2-10-14-7)9-6-13-4-3-12-9/h1-2,8-9,11H,3-6H2
InChIKeyKOUUXNVKMRFXGN-UHFFFAOYSA-N
XLogP1.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
CID 79963796
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79962796
2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963285
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 113471227
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963689
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
4-methylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-ol
CID 79963686
1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79962484
(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
CID 79963194
2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963416

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol (CID 164654930) is 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol is OC(Cc1ccns1)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol?
The InChIKey is KOUUXNVKMRFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c11-8(5-7-1-2-10-14-7)9-6-13-4-3-12-9/h1-2,8-9,11H,3-6H2.
What are the key properties of 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol?
1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol has a molecular weight of 231.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 164654930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).