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

C6H9N3O2S — CID 64536592

IUPAC5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2COCCO2)n1
InChIInChI=1S/C6H9N3O2S/c7-6-8-5(12-9-6)4-3-10-1-2-11-4/h4H,1-3H2,(H2,7,9)
InChIKeyRGUVDZBNEOMXEP-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.21
Rot. Bonds1

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

5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 64536592) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine
PubChem CID64536592
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2COCCO2)n1
InChIInChI=1S/C6H9N3O2S/c7-6-8-5(12-9-6)4-3-10-1-2-11-4/h4H,1-3H2,(H2,7,9)
InChIKeyRGUVDZBNEOMXEP-UHFFFAOYSA-N
XLogP0.21
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine (CID 64536592) is 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(C2COCCO2)n1.
What is the InChIKey of 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is RGUVDZBNEOMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-6-8-5(12-9-6)4-3-10-1-2-11-4/h4H,1-3H2,(H2,7,9).
What are the key properties of 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine?
5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 187.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxan-2-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64536592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).