2-ethyl-5-iodo-1,3,4-thiadiazole

C4H5IN2S — CID 63384145

IUPAC2-ethyl-5-iodo-1,3,4-thiadiazole
SMILESCCc1nnc(I)s1
InChIInChI=1S/C4H5IN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKeyVQTJRZZHQZNLKF-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.71
Rot. Bonds1

About 2-ethyl-5-iodo-1,3,4-thiadiazole

2-ethyl-5-iodo-1,3,4-thiadiazole (PubChem CID 63384145) has the molecular formula C4H5IN2S and a molecular weight of 240.07 g/mol. Its IUPAC name is 2-ethyl-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-iodo-1,3,4-thiadiazole
PubChem CID63384145
Molecular FormulaC4H5IN2S
Molecular Weight240.07 g/mol
Exact Mass239.92
IUPAC Name2-ethyl-5-iodo-1,3,4-thiadiazole
SMILESCCc1nnc(I)s1
InChIInChI=1S/C4H5IN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKeyVQTJRZZHQZNLKF-UHFFFAOYSA-N
XLogP1.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-iodo-1,3,4-thiadiazole (CID 63384145) is 2-ethyl-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-iodo-1,3,4-thiadiazole is CCc1nnc(I)s1.
What is the InChIKey of 2-ethyl-5-iodo-1,3,4-thiadiazole?
The InChIKey is VQTJRZZHQZNLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3.
What are the key properties of 2-ethyl-5-iodo-1,3,4-thiadiazole?
2-ethyl-5-iodo-1,3,4-thiadiazole has a molecular weight of 240.07 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 63384145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).