3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole

C7H11IN2S — CID 102943684

IUPAC3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole
SMILESCCC(C)(C)c1nc(I)ns1
InChIInChI=1S/C7H11IN2S/c1-4-7(2,3)5-9-6(8)10-11-5/h4H2,1-3H3
InChIKeyFYHZCXQTNCYZRI-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.83
Rot. Bonds2

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

3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole (PubChem CID 102943684) has the molecular formula C7H11IN2S and a molecular weight of 282.15 g/mol. Its IUPAC name is 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole
PubChem CID102943684
Molecular FormulaC7H11IN2S
Molecular Weight282.15 g/mol
Exact Mass281.97
IUPAC Name3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole
SMILESCCC(C)(C)c1nc(I)ns1
InChIInChI=1S/C7H11IN2S/c1-4-7(2,3)5-9-6(8)10-11-5/h4H2,1-3H3
InChIKeyFYHZCXQTNCYZRI-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
5-(2-Fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
CID 131198196
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Tert-butyl-1,2,4-thiadiazol-3-amine
CID 12246468
5-(3-Ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine
CID 19912008
5-Tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole
CID 58810144
3-Tert-butyl-5-methyl-1,2,4-thiadiazole
CID 59125550
5-Tert-butyl-3-methyl-1,2,4-thiadiazole
CID 59463937
5-(2,2-Dimethylpropyl)-1,2,4-thiadiazole
CID 59574691
5-Methyl-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 59871599
3-Methyl-5-(2-methylpropyl)-1,2,4-thiadiazole
CID 59871601
5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 66695266

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole (CID 102943684) is 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole is CCC(C)(C)c1nc(I)ns1.
What is the InChIKey of 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
The InChIKey is FYHZCXQTNCYZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2S/c1-4-7(2,3)5-9-6(8)10-11-5/h4H2,1-3H3.
What are the key properties of 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole has a molecular weight of 282.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2-methylbutan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).