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

C6H9IN2OS — CID 102618450

IUPAC5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(I)n1
InChIInChI=1S/C6H9IN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKeyPQEBUYOUSYHBBZ-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.02
Rot. Bonds2

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

5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole (PubChem CID 102618450) has the molecular formula C6H9IN2OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
PubChem CID102618450
Molecular FormulaC6H9IN2OS
Molecular Weight284.12 g/mol
Exact Mass283.95
IUPAC Name5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(I)n1
InChIInChI=1S/C6H9IN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3
InChIKeyPQEBUYOUSYHBBZ-UHFFFAOYSA-N
XLogP2.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole (CID 102618450) is 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole is COC(C)(C)c1nsc(I)n1.
What is the InChIKey of 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
The InChIKey is PQEBUYOUSYHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3.
What are the key properties of 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole?
5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole has a molecular weight of 284.12 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).