5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine

C8H16N4OS — CID 82947352

IUPAC5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCOCCCNc1nc(N)ns1
InChIInChI=1S/C8H16N4OS/c1-2-5-13-6-3-4-10-8-11-7(9)12-14-8/h2-6H2,1H3,(H3,9,10,11,12)
InChIKeyFNCBZXYXLGMREU-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.35
Rot. Bonds7

About 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 82947352) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID82947352
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCOCCCNc1nc(N)ns1
InChIInChI=1S/C8H16N4OS/c1-2-5-13-6-3-4-10-8-11-7(9)12-14-8/h2-6H2,1H3,(H3,9,10,11,12)
InChIKeyFNCBZXYXLGMREU-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine 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 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine (CID 82947352) is 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine is CCCOCCCNc1nc(N)ns1.
What is the InChIKey of 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is FNCBZXYXLGMREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-2-5-13-6-3-4-10-8-11-7(9)12-14-8/h2-6H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 216.31 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 82947352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).