4-(2-methyloctyl)thiadiazole

C11H20N2S — CID 166754088

IUPAC4-(2-methyloctyl)thiadiazole
SMILESCCCCCCC(C)Cc1csnn1
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-7-10(2)8-11-9-14-13-12-11/h9-10H,3-8H2,1-2H3
InChIKeyWYEJAXGGCZSYAD-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.69
Rot. Bonds7

About 4-(2-methyloctyl)thiadiazole

4-(2-methyloctyl)thiadiazole (PubChem CID 166754088) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-(2-methyloctyl)thiadiazole.

Molecular Properties

Compound Name4-(2-methyloctyl)thiadiazole
PubChem CID166754088
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4-(2-methyloctyl)thiadiazole
SMILESCCCCCCC(C)Cc1csnn1
InChIInChI=1S/C11H20N2S/c1-3-4-5-6-7-10(2)8-11-9-14-13-12-11/h9-10H,3-8H2,1-2H3
InChIKeyWYEJAXGGCZSYAD-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloctyl)thiadiazole?
The IUPAC name of 4-(2-methyloctyl)thiadiazole (CID 166754088) is 4-(2-methyloctyl)thiadiazole.
What is the SMILES notation for 4-(2-methyloctyl)thiadiazole?
The canonical SMILES for 4-(2-methyloctyl)thiadiazole is CCCCCCC(C)Cc1csnn1.
What is the InChIKey of 4-(2-methyloctyl)thiadiazole?
The InChIKey is WYEJAXGGCZSYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-4-5-6-7-10(2)8-11-9-14-13-12-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(2-methyloctyl)thiadiazole?
4-(2-methyloctyl)thiadiazole has a molecular weight of 212.36 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloctyl)thiadiazole is sourced from PubChem (CID 166754088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).