3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol

C11H19NO2S — CID 116711385

IUPAC3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1nccs1
InChIInChI=1S/C11H19NO2S/c1-3-5-10(14-4-2)9(13)8-11-12-6-7-15-11/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyYOFZNLNRMATQGA-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.25
Rot. Bonds7

About 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol

3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol (PubChem CID 116711385) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
PubChem CID116711385
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1nccs1
InChIInChI=1S/C11H19NO2S/c1-3-5-10(14-4-2)9(13)8-11-12-6-7-15-11/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyYOFZNLNRMATQGA-UHFFFAOYSA-N
XLogP2.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 116717963
[3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105271499
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823797
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
4-ethoxydodecan-5-ol
CID 116711346
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol?
The IUPAC name of 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol (CID 116711385) is 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol?
The canonical SMILES for 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol is CCCC(OCC)C(O)Cc1nccs1.
What is the InChIKey of 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol?
The InChIKey is YOFZNLNRMATQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-5-10(14-4-2)9(13)8-11-12-6-7-15-11/h6-7,9-10,13H,3-5,8H2,1-2H3.
What are the key properties of 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol?
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol is sourced from PubChem (CID 116711385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).