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

C11H17N3O2S — CID 65267474

IUPACN-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C11H17N3O2S/c1-15-5-4-12-11-13-10(14-17-11)8-6-7-2-3-9(8)16-7/h7-9H,2-6H2,1H3,(H,12,13,14)
InChIKeyKWWHVBJFWTXJGF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.63
Rot. Bonds5

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

N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267474) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65267474
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C11H17N3O2S/c1-15-5-4-12-11-13-10(14-17-11)8-6-7-2-3-9(8)16-7/h7-9H,2-6H2,1H3,(H,12,13,14)
InChIKeyKWWHVBJFWTXJGF-UHFFFAOYSA-N
XLogP1.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65267474) is N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CC3CCC2O3)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KWWHVBJFWTXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-15-5-4-12-11-13-10(14-17-11)8-6-7-2-3-9(8)16-7/h7-9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).