4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine

C8H15N3OS — CID 62194644

IUPAC4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine
SMILESCCC(C)(C)OCc1nnsc1N
InChIInChI=1S/C8H15N3OS/c1-4-8(2,3)12-5-6-7(9)13-11-10-6/h4-5,9H2,1-3H3
InChIKeyGVJXDQXGGXRJJM-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.83
Rot. Bonds4

About 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine

4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine (PubChem CID 62194644) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine
PubChem CID62194644
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine
SMILESCCC(C)(C)OCc1nnsc1N
InChIInChI=1S/C8H15N3OS/c1-4-8(2,3)12-5-6-7(9)13-11-10-6/h4-5,9H2,1-3H3
InChIKeyGVJXDQXGGXRJJM-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine (CID 62194644) is 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine is CCC(C)(C)OCc1nnsc1N.
What is the InChIKey of 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine?
The InChIKey is GVJXDQXGGXRJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-8(2,3)12-5-6-7(9)13-11-10-6/h4-5,9H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine?
4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62194644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).