5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole

C10H9IN2S — CID 102943757

IUPAC5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(I)ns2)c(C)c1
InChIInChI=1S/C10H9IN2S/c1-6-3-4-8(7(2)5-6)9-12-10(11)13-14-9/h3-5H,1-2H3
InChIKeyQRJQNUHSNCTEJF-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.43
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole

5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943757) has the molecular formula C10H9IN2S and a molecular weight of 316.17 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943757
Molecular FormulaC10H9IN2S
Molecular Weight316.17 g/mol
Exact Mass315.95
IUPAC Name5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(I)ns2)c(C)c1
InChIInChI=1S/C10H9IN2S/c1-6-3-4-8(7(2)5-6)9-12-10(11)13-14-9/h3-5H,1-2H3
InChIKeyQRJQNUHSNCTEJF-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.43
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-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole (CID 102943757) is 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole is Cc1ccc(-c2nc(I)ns2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is QRJQNUHSNCTEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2S/c1-6-3-4-8(7(2)5-6)9-12-10(11)13-14-9/h3-5H,1-2H3.
What are the key properties of 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole?
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 316.17 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).