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

C6H9IN2OS — CID 102943523

IUPAC5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole
SMILESCCOCCc1nc(I)ns1
InChIInChI=1S/C6H9IN2OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyQFXLKCVXHWOXBR-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.72
Rot. Bonds4

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

5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943523) has the molecular formula C6H9IN2OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943523
Molecular FormulaC6H9IN2OS
Molecular Weight284.12 g/mol
Exact Mass283.95
IUPAC Name5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole
SMILESCCOCCc1nc(I)ns1
InChIInChI=1S/C6H9IN2OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyQFXLKCVXHWOXBR-UHFFFAOYSA-N
XLogP1.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-But-2-ynoxy-5-methyl-1,2,4-thiadiazole
CID 59141936
5-Ethyl-3-iodo-1,2,4-thiadiazole
CID 71031790
3-But-2-ynoxy-5-ethyl-1,2,4-thiadiazole
CID 90741617
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
5-Tert-butyl-3-methoxy-1,2,4-thiadiazole
CID 146378220
3-Ethoxy-5-methyl-1,2,4-thiadiazole
CID 149349626
5-Ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole
CID 155406622
5-Methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
CID 155742643
3-(2-Methoxyethyl)-5-propan-2-yl-1,2,4-thiadiazole
CID 178845697

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole (CID 102943523) is 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole is CCOCCc1nc(I)ns1.
What is the InChIKey of 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is QFXLKCVXHWOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3.
What are the key properties of 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole?
5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 284.12 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).