5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine

C8H11N3O2S — CID 166162969

IUPAC5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(O[C@@H]2COC3(CC3)C2)s1
InChIInChI=1S/C8H11N3O2S/c9-6-10-11-7(14-6)13-5-3-8(1-2-8)12-4-5/h5H,1-4H2,(H2,9,10)/t5-/m0/s1
InChIKeyOAWREQFPBNUWQW-YFKPBYRVSA-N
MW213.26 g/mol
LogP0.82
Rot. Bonds2

About 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine

5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine (PubChem CID 166162969) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine
PubChem CID166162969
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(O[C@@H]2COC3(CC3)C2)s1
InChIInChI=1S/C8H11N3O2S/c9-6-10-11-7(14-6)13-5-3-8(1-2-8)12-4-5/h5H,1-4H2,(H2,9,10)/t5-/m0/s1
InChIKeyOAWREQFPBNUWQW-YFKPBYRVSA-N
XLogP0.82
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine (CID 166162969) is 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine is Nc1nnc(O[C@@H]2COC3(CC3)C2)s1.
What is the InChIKey of 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine?
The InChIKey is OAWREQFPBNUWQW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-6-10-11-7(14-6)13-5-3-8(1-2-8)12-4-5/h5H,1-4H2,(H2,9,10)/t5-/m0/s1.
What are the key properties of 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine?
5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine has a molecular weight of 213.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6S)-4-oxaspiro[2.4]heptan-6-yl]oxy]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 166162969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).