(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C13H20N2O2S — CID 105112753

IUPAC(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCCc1nnsc1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H20N2O2S/c1-2-10-12(18-15-14-10)11(16)9-4-7-17-13(8-9)5-3-6-13/h9,11,16H,2-8H2,1H3
InChIKeyGFMIQQJKOVOUFH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.48
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 105112753) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID105112753
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCCc1nnsc1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H20N2O2S/c1-2-10-12(18-15-14-10)11(16)9-4-7-17-13(8-9)5-3-6-13/h9,11,16H,2-8H2,1H3
InChIKeyGFMIQQJKOVOUFH-UHFFFAOYSA-N
XLogP2.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.48
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)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169794
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116233
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylthiadiazol-5-yl)methanone
CID 105119326
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
CID 79924322

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 105112753) is (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is CCc1nnsc1C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is GFMIQQJKOVOUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-10-12(18-15-14-10)11(16)9-4-7-17-13(8-9)5-3-6-13/h9,11,16H,2-8H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 268.38 g/mol, XLogP of 2.48, 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)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 105112753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).