(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol

C10H16N2O2S — CID 105097477

IUPAC(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
SMILESCCc1nnsc1C(O)C1CCOCC1
InChIInChI=1S/C10H16N2O2S/c1-2-8-10(15-12-11-8)9(13)7-3-5-14-6-4-7/h7,9,13H,2-6H2,1H3
InChIKeyQABSTWUOSOQRGA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.56
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol

(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol (PubChem CID 105097477) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
PubChem CID105097477
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
SMILESCCc1nnsc1C(O)C1CCOCC1
InChIInChI=1S/C10H16N2O2S/c1-2-8-10(15-12-11-8)9(13)7-3-5-14-6-4-7/h7,9,13H,2-6H2,1H3
InChIKeyQABSTWUOSOQRGA-UHFFFAOYSA-N
XLogP1.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090310
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147324
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
CID 105092076
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
CID 105102916
1-cyclopropyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105157139
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
CID 105114668
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105151524

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol (CID 105097477) is (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol is CCc1nnsc1C(O)C1CCOCC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol?
The InChIKey is QABSTWUOSOQRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-8-10(15-12-11-8)9(13)7-3-5-14-6-4-7/h7,9,13H,2-6H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol?
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol has a molecular weight of 228.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 105097477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).