5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole

C6H6N2OS — CID 118466201

IUPAC5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole
SMILESC#CCOc1nsc(C)n1
InChIInChI=1S/C6H6N2OS/c1-3-4-9-6-7-5(2)10-8-6/h1H,4H2,2H3
InChIKeyFDJSXUCLMJIJOW-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.86
Rot. Bonds2

About 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole

5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole (PubChem CID 118466201) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole
PubChem CID118466201
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole
SMILESC#CCOc1nsc(C)n1
InChIInChI=1S/C6H6N2OS/c1-3-4-9-6-7-5(2)10-8-6/h1H,4H2,2H3
InChIKeyFDJSXUCLMJIJOW-UHFFFAOYSA-N
XLogP0.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-5-methyl-1,2,4-thiadiazole
CID 58328470
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
3-(2-Methoxyethoxy)-5-methyl-1,2,4-thiadiazole
CID 135170701
3-Bromo-5-(2-ethoxyethynyl)-1,2,4-thiadiazole
CID 141498485
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-Iodo-5-(2-methoxyethyl)-1,2,4-thiadiazole
CID 121601630
3-Chloro-5-(2-methoxyethyl)-1,2,4-thiadiazole
CID 121601668
3-(3-Methyl-1,2,4-thiadiazol-5-yl)prop-2-yn-1-ol
CID 122241789

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole (CID 118466201) is 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole is C#CCOc1nsc(C)n1.
What is the InChIKey of 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole?
The InChIKey is FDJSXUCLMJIJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-3-4-9-6-7-5(2)10-8-6/h1H,4H2,2H3.
What are the key properties of 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole?
5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole has a molecular weight of 154.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-ynoxy-1,2,4-thiadiazole is sourced from PubChem (CID 118466201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).