[3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate

C15H20N4O4S2 — CID 123784268

IUPAC[3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate
SMILESCCC(CCOS(=O)(=O)O)CCc1ccc(/N=N/c2ncns2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-2-12(9-10-23-25(20,21)22)3-4-13-5-7-14(8-6-13)18-19-15-16-11-17-24-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,22)/b19-18+
InChIKeyMWZUXARXJPSACC-VHEBQXMUSA-N
MW384.48 g/mol
LogP4.12
Rot. Bonds10

About [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate

[3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate (PubChem CID 123784268) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate.

Molecular Properties

Compound Name[3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate
PubChem CID123784268
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name[3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate
SMILESCCC(CCOS(=O)(=O)O)CCc1ccc(/N=N/c2ncns2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-2-12(9-10-23-25(20,21)22)3-4-13-5-7-14(8-6-13)18-19-15-16-11-17-24-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,22)/b19-18+
InChIKeyMWZUXARXJPSACC-VHEBQXMUSA-N
XLogP4.12
TPSA114.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate 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 [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate?
The IUPAC name of [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate (CID 123784268) is [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate.
What is the SMILES notation for [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate?
The canonical SMILES for [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate is CCC(CCOS(=O)(=O)O)CCc1ccc(/N=N/c2ncns2)cc1.
What is the InChIKey of [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate?
The InChIKey is MWZUXARXJPSACC-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-2-12(9-10-23-25(20,21)22)3-4-13-5-7-14(8-6-13)18-19-15-16-11-17-24-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,22)/b19-18+.
What are the key properties of [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate?
[3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate has a molecular weight of 384.48 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-[4-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]pentyl] hydrogen sulfate is sourced from PubChem (CID 123784268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).