4-(hexoxymethyl)thiadiazol-5-amine

C9H17N3OS — CID 62193067

IUPAC4-(hexoxymethyl)thiadiazol-5-amine
SMILESCCCCCCOCc1nnsc1N
InChIInChI=1S/C9H17N3OS/c1-2-3-4-5-6-13-7-8-9(10)14-12-11-8/h2-7,10H2,1H3
InChIKeyWKNOZKCNBRPFJY-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.22
Rot. Bonds7

About 4-(hexoxymethyl)thiadiazol-5-amine

4-(hexoxymethyl)thiadiazol-5-amine (PubChem CID 62193067) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-(hexoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(hexoxymethyl)thiadiazol-5-amine
PubChem CID62193067
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-(hexoxymethyl)thiadiazol-5-amine
SMILESCCCCCCOCc1nnsc1N
InChIInChI=1S/C9H17N3OS/c1-2-3-4-5-6-13-7-8-9(10)14-12-11-8/h2-7,10H2,1H3
InChIKeyWKNOZKCNBRPFJY-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(hexoxymethyl)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-(hexoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(hexoxymethyl)thiadiazol-5-amine (CID 62193067) is 4-(hexoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(hexoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(hexoxymethyl)thiadiazol-5-amine is CCCCCCOCc1nnsc1N.
What is the InChIKey of 4-(hexoxymethyl)thiadiazol-5-amine?
The InChIKey is WKNOZKCNBRPFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-3-4-5-6-13-7-8-9(10)14-12-11-8/h2-7,10H2,1H3.
What are the key properties of 4-(hexoxymethyl)thiadiazol-5-amine?
4-(hexoxymethyl)thiadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62193067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).