5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole

C7H12N2O2S — CID 155406622

IUPAC5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole
SMILESCCc1nc(OCCOC)ns1
InChIInChI=1S/C7H12N2O2S/c1-3-6-8-7(9-12-6)11-5-4-10-2/h3-5H2,1-2H3
InChIKeyWPBMHOHEHANDMQ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.13
Rot. Bonds5

About 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole

5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole (PubChem CID 155406622) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole
PubChem CID155406622
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole
SMILESCCc1nc(OCCOC)ns1
InChIInChI=1S/C7H12N2O2S/c1-3-6-8-7(9-12-6)11-5-4-10-2/h3-5H2,1-2H3
InChIKeyWPBMHOHEHANDMQ-UHFFFAOYSA-N
XLogP1.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-But-2-ynoxy-5-methyl-1,2,4-thiadiazole
CID 59141936
3-But-2-ynoxy-5-ethyl-1,2,4-thiadiazole
CID 90741617
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
5-Methyl-3-prop-2-ynoxy-1,2,4-thiadiazole
CID 118466201
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994
3-(2-Methoxyethoxy)-5-methyl-1,2,4-thiadiazole
CID 135170701
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-Methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
CID 155742643
5-(2-Propoxyethyl)-1,2,4-thiadiazol-3-amine
CID 64538814

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole?
The IUPAC name of 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole (CID 155406622) is 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole is CCc1nc(OCCOC)ns1.
What is the InChIKey of 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole?
The InChIKey is WPBMHOHEHANDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-6-8-7(9-12-6)11-5-4-10-2/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole?
5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole has a molecular weight of 188.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 155406622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).