4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine

C11H12N6OS2 — CID 114354824

IUPAC4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nn3c(C4CCOCC4)nnc3s2)cs1
InChIInChI=1S/C11H12N6OS2/c12-10-13-7(5-19-10)9-16-17-8(14-15-11(17)20-9)6-1-3-18-4-2-6/h5-6H,1-4H2,(H2,12,13)
InChIKeyZAEBUMOONUAOLD-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.79
Rot. Bonds2

About 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine

4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine (PubChem CID 114354824) has the molecular formula C11H12N6OS2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine
PubChem CID114354824
Molecular FormulaC11H12N6OS2
Molecular Weight308.39 g/mol
Exact Mass308.05
IUPAC Name4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nn3c(C4CCOCC4)nnc3s2)cs1
InChIInChI=1S/C11H12N6OS2/c12-10-13-7(5-19-10)9-16-17-8(14-15-11(17)20-9)6-1-3-18-4-2-6/h5-6H,1-4H2,(H2,12,13)
InChIKeyZAEBUMOONUAOLD-UHFFFAOYSA-N
XLogP1.79
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine (CID 114354824) is 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine is Nc1nc(-c2nn3c(C4CCOCC4)nnc3s2)cs1.
What is the InChIKey of 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine?
The InChIKey is ZAEBUMOONUAOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS2/c12-10-13-7(5-19-10)9-16-17-8(14-15-11(17)20-9)6-1-3-18-4-2-6/h5-6H,1-4H2,(H2,12,13).
What are the key properties of 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine?
4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine has a molecular weight of 308.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114354824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).