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

C6H9N3OS — CID 64544463

IUPAC5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CCCO2)n1
InChIInChI=1S/C6H9N3OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,9)
InChIKeyXIQMQWOZUVGMJB-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.97
Rot. Bonds1

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

5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 64544463) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine
PubChem CID64544463
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CCCO2)n1
InChIInChI=1S/C6H9N3OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,9)
InChIKeyXIQMQWOZUVGMJB-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 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine (CID 64544463) is 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(C2CCCO2)n1.
What is the InChIKey of 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is XIQMQWOZUVGMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,9).
What are the key properties of 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine?
5-(oxolan-2-yl)-1,2,4-thiadiazol-3-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 5-(oxolan-2-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64544463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).