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

C9H15N3OS — CID 64543453

IUPAC5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CCC2CCCCO2)n1
InChIInChI=1S/C9H15N3OS/c10-9-11-8(14-12-9)5-4-7-3-1-2-6-13-7/h7H,1-6H2,(H2,10,12)
InChIKeyGJOIGETVAKTLHD-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.62
Rot. Bonds3

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

5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine (PubChem CID 64543453) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
PubChem CID64543453
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CCC2CCCCO2)n1
InChIInChI=1S/C9H15N3OS/c10-9-11-8(14-12-9)5-4-7-3-1-2-6-13-7/h7H,1-6H2,(H2,10,12)
InChIKeyGJOIGETVAKTLHD-UHFFFAOYSA-N
XLogP1.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine (CID 64543453) is 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine is Nc1nsc(CCC2CCCCO2)n1.
What is the InChIKey of 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is GJOIGETVAKTLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-9-11-8(14-12-9)5-4-7-3-1-2-6-13-7/h7H,1-6H2,(H2,10,12).
What are the key properties of 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine has a molecular weight of 213.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64543453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).