5-methyl-4-(5-methylundecan-5-yl)thiadiazole

C15H28N2S — CID 146378561

IUPAC5-methyl-4-(5-methylundecan-5-yl)thiadiazole
SMILESCCCCCCC(C)(CCCC)c1nnsc1C
InChIInChI=1S/C15H28N2S/c1-5-7-9-10-12-15(4,11-8-6-2)14-13(3)18-17-16-14/h5-12H2,1-4H3
InChIKeyQXIUFICJOKJBLC-UHFFFAOYSA-N
MW268.47 g/mol
LogP5.26
Rot. Bonds9

About 5-methyl-4-(5-methylundecan-5-yl)thiadiazole

5-methyl-4-(5-methylundecan-5-yl)thiadiazole (PubChem CID 146378561) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 5-methyl-4-(5-methylundecan-5-yl)thiadiazole.

Molecular Properties

Compound Name5-methyl-4-(5-methylundecan-5-yl)thiadiazole
PubChem CID146378561
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name5-methyl-4-(5-methylundecan-5-yl)thiadiazole
SMILESCCCCCCC(C)(CCCC)c1nnsc1C
InChIInChI=1S/C15H28N2S/c1-5-7-9-10-12-15(4,11-8-6-2)14-13(3)18-17-16-14/h5-12H2,1-4H3
InChIKeyQXIUFICJOKJBLC-UHFFFAOYSA-N
XLogP5.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.47
LogP ≤ 55.26
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 5-methyl-4-(5-methylundecan-5-yl)thiadiazole?
The IUPAC name of 5-methyl-4-(5-methylundecan-5-yl)thiadiazole (CID 146378561) is 5-methyl-4-(5-methylundecan-5-yl)thiadiazole.
What is the SMILES notation for 5-methyl-4-(5-methylundecan-5-yl)thiadiazole?
The canonical SMILES for 5-methyl-4-(5-methylundecan-5-yl)thiadiazole is CCCCCCC(C)(CCCC)c1nnsc1C.
What is the InChIKey of 5-methyl-4-(5-methylundecan-5-yl)thiadiazole?
The InChIKey is QXIUFICJOKJBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-7-9-10-12-15(4,11-8-6-2)14-13(3)18-17-16-14/h5-12H2,1-4H3.
What are the key properties of 5-methyl-4-(5-methylundecan-5-yl)thiadiazole?
5-methyl-4-(5-methylundecan-5-yl)thiadiazole has a molecular weight of 268.47 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methylundecan-5-yl)thiadiazole is sourced from PubChem (CID 146378561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).