4-methyl-5-(propoxymethyl)thiadiazole

C7H12N2OS — CID 58773021

IUPAC4-methyl-5-(propoxymethyl)thiadiazole
SMILESCCCOCc1snnc1C
InChIInChI=1S/C7H12N2OS/c1-3-4-10-5-7-6(2)8-9-11-7/h3-5H2,1-2H3
InChIKeyPYBVOAJNRQMGHM-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.77
Rot. Bonds4

About 4-methyl-5-(propoxymethyl)thiadiazole

4-methyl-5-(propoxymethyl)thiadiazole (PubChem CID 58773021) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-methyl-5-(propoxymethyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(propoxymethyl)thiadiazole
PubChem CID58773021
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-methyl-5-(propoxymethyl)thiadiazole
SMILESCCCOCc1snnc1C
InChIInChI=1S/C7H12N2OS/c1-3-4-10-5-7-6(2)8-9-11-7/h3-5H2,1-2H3
InChIKeyPYBVOAJNRQMGHM-UHFFFAOYSA-N
XLogP1.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(propoxymethyl)thiadiazole?
The IUPAC name of 4-methyl-5-(propoxymethyl)thiadiazole (CID 58773021) is 4-methyl-5-(propoxymethyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(propoxymethyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(propoxymethyl)thiadiazole is CCCOCc1snnc1C.
What is the InChIKey of 4-methyl-5-(propoxymethyl)thiadiazole?
The InChIKey is PYBVOAJNRQMGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-4-10-5-7-6(2)8-9-11-7/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-(propoxymethyl)thiadiazole?
4-methyl-5-(propoxymethyl)thiadiazole has a molecular weight of 172.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(propoxymethyl)thiadiazole is sourced from PubChem (CID 58773021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).