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

C8H13N3OS — CID 65159397

IUPAC5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CCC2CCCO2)n1
InChIInChI=1S/C8H13N3OS/c9-8-10-7(13-11-8)4-3-6-2-1-5-12-6/h6H,1-5H2,(H2,9,11)
InChIKeyLOPGUAAGRIUYBV-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.23
Rot. Bonds3

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

5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine (PubChem CID 65159397) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
PubChem CID65159397
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CCC2CCCO2)n1
InChIInChI=1S/C8H13N3OS/c9-8-10-7(13-11-8)4-3-6-2-1-5-12-6/h6H,1-5H2,(H2,9,11)
InChIKeyLOPGUAAGRIUYBV-UHFFFAOYSA-N
XLogP1.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine (CID 65159397) is 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine is Nc1nsc(CCC2CCCO2)n1.
What is the InChIKey of 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is LOPGUAAGRIUYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-8-10-7(13-11-8)4-3-6-2-1-5-12-6/h6H,1-5H2,(H2,9,11).
What are the key properties of 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine?
5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine has a molecular weight of 199.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 65159397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).