2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite

C5H7IN2OS — CID 170414006

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite
SMILESCc1nnc(CCOI)s1
InChIInChI=1S/C5H7IN2OS/c1-4-7-8-5(10-4)2-3-9-6/h2-3H2,1H3
InChIKeyXSPYAEDEWMKFHM-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.76
Rot. Bonds3

About 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite

2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite (PubChem CID 170414006) has the molecular formula C5H7IN2OS and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite
PubChem CID170414006
Molecular FormulaC5H7IN2OS
Molecular Weight270.09 g/mol
Exact Mass269.93
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite
SMILESCc1nnc(CCOI)s1
InChIInChI=1S/C5H7IN2OS/c1-4-7-8-5(10-4)2-3-9-6/h2-3H2,1H3
InChIKeyXSPYAEDEWMKFHM-UHFFFAOYSA-N
XLogP1.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite 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 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite (CID 170414006) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite is Cc1nnc(CCOI)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite?
The InChIKey is XSPYAEDEWMKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2OS/c1-4-7-8-5(10-4)2-3-9-6/h2-3H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite?
2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite has a molecular weight of 270.09 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite is sourced from PubChem (CID 170414006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).