3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol

C13H21N3O2S — CID 86813190

IUPAC3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(c1nc(C)ns1)CC2
InChIInChI=1S/C13H21N3O2S/c1-3-18-11-8-10(17)13(11)4-6-16(7-5-13)12-14-9(2)15-19-12/h10-11,17H,3-8H2,1-2H3
InChIKeyQLJIQLRMABUNRW-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.60
Rot. Bonds3

About 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 86813190) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID86813190
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(c1nc(C)ns1)CC2
InChIInChI=1S/C13H21N3O2S/c1-3-18-11-8-10(17)13(11)4-6-16(7-5-13)12-14-9(2)15-19-12/h10-11,17H,3-8H2,1-2H3
InChIKeyQLJIQLRMABUNRW-UHFFFAOYSA-N
XLogP1.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol (CID 86813190) is 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(c1nc(C)ns1)CC2.
What is the InChIKey of 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is QLJIQLRMABUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-18-11-8-10(17)13(11)4-6-16(7-5-13)12-14-9(2)15-19-12/h10-11,17H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 283.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-(3-methyl-1,2,4-thiadiazol-5-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 86813190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).