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

C3H3IN2S — CID 12919161

IUPAC5-iodo-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(I)n1
InChIInChI=1S/C3H3IN2S/c1-2-5-3(4)7-6-2/h1H3
InChIKeyCROMKMCAZNXRCV-UHFFFAOYSA-N
MW226.04 g/mol
LogP1.45
Rot. Bonds

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

5-iodo-3-methyl-1,2,4-thiadiazole (PubChem CID 12919161) has the molecular formula C3H3IN2S and a molecular weight of 226.04 g/mol. Its IUPAC name is 5-iodo-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-methyl-1,2,4-thiadiazole
PubChem CID12919161
Molecular FormulaC3H3IN2S
Molecular Weight226.04 g/mol
Exact Mass225.91
IUPAC Name5-iodo-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(I)n1
InChIInChI=1S/C3H3IN2S/c1-2-5-3(4)7-6-2/h1H3
InChIKeyCROMKMCAZNXRCV-UHFFFAOYSA-N
XLogP1.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 51.45
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 5-iodo-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-methyl-1,2,4-thiadiazole (CID 12919161) is 5-iodo-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-methyl-1,2,4-thiadiazole is Cc1nsc(I)n1.
What is the InChIKey of 5-iodo-3-methyl-1,2,4-thiadiazole?
The InChIKey is CROMKMCAZNXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2S/c1-2-5-3(4)7-6-2/h1H3.
What are the key properties of 5-iodo-3-methyl-1,2,4-thiadiazole?
5-iodo-3-methyl-1,2,4-thiadiazole has a molecular weight of 226.04 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 12919161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).