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

C7H11IN2OS — CID 102618634

IUPAC3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC(C)(C)c1nsc(I)n1
InChIInChI=1S/C7H11IN2OS/c1-4-11-7(2,3)5-9-6(8)12-10-5/h4H2,1-3H3
InChIKeyNFDNHHSONOTTSG-UHFFFAOYSA-N
MW298.15 g/mol
LogP2.41
Rot. Bonds3

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

3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618634) has the molecular formula C7H11IN2OS and a molecular weight of 298.15 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618634
Molecular FormulaC7H11IN2OS
Molecular Weight298.15 g/mol
Exact Mass297.96
IUPAC Name3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC(C)(C)c1nsc(I)n1
InChIInChI=1S/C7H11IN2OS/c1-4-11-7(2,3)5-9-6(8)12-10-5/h4H2,1-3H3
InChIKeyNFDNHHSONOTTSG-UHFFFAOYSA-N
XLogP2.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 79202176
5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 79194891
3-(2-Methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 90400203
3-(2-Ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 135170706
3-(1-Ethoxyethyl)-1,2,4-thiadiazol-5-amine
CID 64539845
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
5-Chloro-3-(propoxymethyl)-1,2,4-thiadiazole
CID 65267362
5-Chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 79604486
5-Bromo-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 102617989
5-Bromo-3-(1-ethoxypropyl)-1,2,4-thiadiazole
CID 102618120
5-Bromo-3-(2-ethoxypropan-2-yl)-1,2,4-thiadiazole
CID 102618182

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole (CID 102618634) is 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole is CCOC(C)(C)c1nsc(I)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is NFDNHHSONOTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2OS/c1-4-11-7(2,3)5-9-6(8)12-10-5/h4H2,1-3H3.
What are the key properties of 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole?
3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 298.15 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).