4-methyl-5-propylsulfanylthiadiazole

C6H10N2S2 — CID 3695660

IUPAC4-methyl-5-propylsulfanylthiadiazole
SMILESCCCSc1snnc1C
InChIInChI=1S/C6H10N2S2/c1-3-4-9-6-5(2)7-8-10-6/h3-4H2,1-2H3
InChIKeyPLKOVLHVWUYOQL-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.35
Rot. Bonds3

About 4-methyl-5-propylsulfanylthiadiazole

4-methyl-5-propylsulfanylthiadiazole (PubChem CID 3695660) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-methyl-5-propylsulfanylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-propylsulfanylthiadiazole
PubChem CID3695660
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name4-methyl-5-propylsulfanylthiadiazole
SMILESCCCSc1snnc1C
InChIInChI=1S/C6H10N2S2/c1-3-4-9-6-5(2)7-8-10-6/h3-4H2,1-2H3
InChIKeyPLKOVLHVWUYOQL-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-propylsulfanylthiadiazole 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-methyl-5-propylsulfanylthiadiazole?
The IUPAC name of 4-methyl-5-propylsulfanylthiadiazole (CID 3695660) is 4-methyl-5-propylsulfanylthiadiazole.
What is the SMILES notation for 4-methyl-5-propylsulfanylthiadiazole?
The canonical SMILES for 4-methyl-5-propylsulfanylthiadiazole is CCCSc1snnc1C.
What is the InChIKey of 4-methyl-5-propylsulfanylthiadiazole?
The InChIKey is PLKOVLHVWUYOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-3-4-9-6-5(2)7-8-10-6/h3-4H2,1-2H3.
What are the key properties of 4-methyl-5-propylsulfanylthiadiazole?
4-methyl-5-propylsulfanylthiadiazole has a molecular weight of 174.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propylsulfanylthiadiazole is sourced from PubChem (CID 3695660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).