3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine

C6H9N3OS — CID 65331347

IUPAC3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCO2)ns1
InChIInChI=1S/C6H9N3OS/c7-6-8-5(9-11-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,8,9)
InChIKeyPYSTVZGYCBYTJL-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.97
Rot. Bonds1

About 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine

3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65331347) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65331347
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCO2)ns1
InChIInChI=1S/C6H9N3OS/c7-6-8-5(9-11-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,8,9)
InChIKeyPYSTVZGYCBYTJL-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65331347) is 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(C2CCCO2)ns1.
What is the InChIKey of 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PYSTVZGYCBYTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-6-8-5(9-11-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,8,9).
What are the key properties of 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine?
3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 171.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65331347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).