1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine

C10H16N4OS — CID 136561948

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
SMILESCCc1nsc(N2CC(NC3COC3)C2)n1
InChIInChI=1S/C10H16N4OS/c1-2-9-12-10(16-13-9)14-3-7(4-14)11-8-5-15-6-8/h7-8,11H,2-6H2,1H3
InChIKeyBEZYLEPPJOPEJS-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.28
Rot. Bonds4

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine (PubChem CID 136561948) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
PubChem CID136561948
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
SMILESCCc1nsc(N2CC(NC3COC3)C2)n1
InChIInChI=1S/C10H16N4OS/c1-2-9-12-10(16-13-9)14-3-7(4-14)11-8-5-15-6-8/h7-8,11H,2-6H2,1H3
InChIKeyBEZYLEPPJOPEJS-UHFFFAOYSA-N
XLogP0.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine (CID 136561948) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine is CCc1nsc(N2CC(NC3COC3)C2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine?
The InChIKey is BEZYLEPPJOPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-9-12-10(16-13-9)14-3-7(4-14)11-8-5-15-6-8/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine has a molecular weight of 240.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine is sourced from PubChem (CID 136561948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).