1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol

C9H16N2O2S — CID 105112166

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
SMILESCOCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C9H16N2O2S/c1-9(2,3)8-7(14-11-10-8)6(12)5-13-4/h6,12H,5H2,1-4H3
InChIKeyGEUIRTPTXOPASK-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.52
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol

1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol (PubChem CID 105112166) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
PubChem CID105112166
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
SMILESCOCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C9H16N2O2S/c1-9(2,3)8-7(14-11-10-8)6(12)5-13-4/h6,12H,5H2,1-4H3
InChIKeyGEUIRTPTXOPASK-UHFFFAOYSA-N
XLogP1.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105112129
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 105101479
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 105132690
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol
CID 105104849

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol (CID 105112166) is 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol is COCC(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol?
The InChIKey is GEUIRTPTXOPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,3)8-7(14-11-10-8)6(12)5-13-4/h6,12H,5H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol has a molecular weight of 216.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol is sourced from PubChem (CID 105112166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).