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

C15H25N3O2S — CID 75382026

IUPAC3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCCc1nnc(N2CCC3(CC2)C(O)CC3OCC)s1
InChIInChI=1S/C15H25N3O2S/c1-3-5-13-16-17-14(21-13)18-8-6-15(7-9-18)11(19)10-12(15)20-4-2/h11-12,19H,3-10H2,1-2H3
InChIKeyROIKHFOESOOVTJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.25
Rot. Bonds5

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

3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 75382026) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID75382026
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCCc1nnc(N2CCC3(CC2)C(O)CC3OCC)s1
InChIInChI=1S/C15H25N3O2S/c1-3-5-13-16-17-14(21-13)18-8-6-15(7-9-18)11(19)10-12(15)20-4-2/h11-12,19H,3-10H2,1-2H3
InChIKeyROIKHFOESOOVTJ-UHFFFAOYSA-N
XLogP2.25
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol (CID 75382026) is 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol is CCCc1nnc(N2CCC3(CC2)C(O)CC3OCC)s1.
What is the InChIKey of 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is ROIKHFOESOOVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-5-13-16-17-14(21-13)18-8-6-15(7-9-18)11(19)10-12(15)20-4-2/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 311.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-(5-propyl-1,3,4-thiadiazol-2-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 75382026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).