4-(hexoxymethyl)-N-methylthiadiazol-5-amine

C10H19N3OS — CID 62193071

IUPAC4-(hexoxymethyl)-N-methylthiadiazol-5-amine
SMILESCCCCCCOCc1nnsc1NC
InChIInChI=1S/C10H19N3OS/c1-3-4-5-6-7-14-8-9-10(11-2)15-13-12-9/h11H,3-8H2,1-2H3
InChIKeySIYMJEHLHKZHIU-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.68
Rot. Bonds8

About 4-(hexoxymethyl)-N-methylthiadiazol-5-amine

4-(hexoxymethyl)-N-methylthiadiazol-5-amine (PubChem CID 62193071) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(hexoxymethyl)-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(hexoxymethyl)-N-methylthiadiazol-5-amine
PubChem CID62193071
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-(hexoxymethyl)-N-methylthiadiazol-5-amine
SMILESCCCCCCOCc1nnsc1NC
InChIInChI=1S/C10H19N3OS/c1-3-4-5-6-7-14-8-9-10(11-2)15-13-12-9/h11H,3-8H2,1-2H3
InChIKeySIYMJEHLHKZHIU-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(hexoxymethyl)-N-methylthiadiazol-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)-N-methylthiadiazol-5-amine?
The IUPAC name of 4-(hexoxymethyl)-N-methylthiadiazol-5-amine (CID 62193071) is 4-(hexoxymethyl)-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-(hexoxymethyl)-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-(hexoxymethyl)-N-methylthiadiazol-5-amine is CCCCCCOCc1nnsc1NC.
What is the InChIKey of 4-(hexoxymethyl)-N-methylthiadiazol-5-amine?
The InChIKey is SIYMJEHLHKZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-4-5-6-7-14-8-9-10(11-2)15-13-12-9/h11H,3-8H2,1-2H3.
What are the key properties of 4-(hexoxymethyl)-N-methylthiadiazol-5-amine?
4-(hexoxymethyl)-N-methylthiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexoxymethyl)-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62193071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).