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

C7H11N3OS — CID 63738395

IUPAC3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCOC2)ns1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyKRLJZDWQIRNTGJ-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.01
Rot. Bonds1

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

3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 63738395) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID63738395
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCOC2)ns1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyKRLJZDWQIRNTGJ-UHFFFAOYSA-N
XLogP1.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (CID 63738395) is 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(C2CCCOC2)ns1.
What is the InChIKey of 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KRLJZDWQIRNTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-7-9-6(10-12-7)5-2-1-3-11-4-5/h5H,1-4H2,(H2,8,9,10).
What are the key properties of 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 185.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 63738395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).