4-(dimethoxymethyl)thiadiazole

C5H8N2O2S — CID 71342455

IUPAC4-(dimethoxymethyl)thiadiazole
SMILESCOC(OC)c1csnn1
InChIInChI=1S/C5H8N2O2S/c1-8-5(9-2)4-3-10-7-6-4/h3,5H,1-2H3
InChIKeyILRGPGLSZUILPQ-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.83
Rot. Bonds3

About 4-(dimethoxymethyl)thiadiazole

4-(dimethoxymethyl)thiadiazole (PubChem CID 71342455) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 4-(dimethoxymethyl)thiadiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)thiadiazole
PubChem CID71342455
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name4-(dimethoxymethyl)thiadiazole
SMILESCOC(OC)c1csnn1
InChIInChI=1S/C5H8N2O2S/c1-8-5(9-2)4-3-10-7-6-4/h3,5H,1-2H3
InChIKeyILRGPGLSZUILPQ-UHFFFAOYSA-N
XLogP0.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(dimethoxymethyl)thiadiazole 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-(dimethoxymethyl)thiadiazole?
The IUPAC name of 4-(dimethoxymethyl)thiadiazole (CID 71342455) is 4-(dimethoxymethyl)thiadiazole.
What is the SMILES notation for 4-(dimethoxymethyl)thiadiazole?
The canonical SMILES for 4-(dimethoxymethyl)thiadiazole is COC(OC)c1csnn1.
What is the InChIKey of 4-(dimethoxymethyl)thiadiazole?
The InChIKey is ILRGPGLSZUILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-8-5(9-2)4-3-10-7-6-4/h3,5H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)thiadiazole?
4-(dimethoxymethyl)thiadiazole has a molecular weight of 160.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)thiadiazole is sourced from PubChem (CID 71342455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).