N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine

C10H15N3OS — CID 65268860

IUPACN-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C10H15N3OS/c1-2-11-10-12-9(13-15-10)7-5-6-3-4-8(7)14-6/h6-8H,2-5H2,1H3,(H,11,12,13)
InChIKeyOFKKTVMUWGGSGC-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.00
Rot. Bonds3

About N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268860) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268860
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C10H15N3OS/c1-2-11-10-12-9(13-15-10)7-5-6-3-4-8(7)14-6/h6-8H,2-5H2,1H3,(H,11,12,13)
InChIKeyOFKKTVMUWGGSGC-UHFFFAOYSA-N
XLogP2.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65268860) is N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is CCNc1nc(C2CC3CCC2O3)ns1.
What is the InChIKey of N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OFKKTVMUWGGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-11-10-12-9(13-15-10)7-5-6-3-4-8(7)14-6/h6-8H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 225.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).