1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C7H9N5OS — CID 65198482

IUPAC1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1nnsc1-c1nc(C(C)N)no1
InChIInChI=1S/C7H9N5OS/c1-3(8)6-9-7(13-11-6)5-4(2)10-12-14-5/h3H,8H2,1-2H3
InChIKeyGZXWUEBZLSNYGO-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.92
Rot. Bonds2

About 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 65198482) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID65198482
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1nnsc1-c1nc(C(C)N)no1
InChIInChI=1S/C7H9N5OS/c1-3(8)6-9-7(13-11-6)5-4(2)10-12-14-5/h3H,8H2,1-2H3
InChIKeyGZXWUEBZLSNYGO-UHFFFAOYSA-N
XLogP0.92
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine 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 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 65198482) is 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine is Cc1nnsc1-c1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is GZXWUEBZLSNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-3(8)6-9-7(13-11-6)5-4(2)10-12-14-5/h3H,8H2,1-2H3.
What are the key properties of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 211.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 65198482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).