3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole

C9H16N2S — CID 91486139

IUPAC3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole
SMILESCCC(C)CCc1nc(C)ns1
InChIInChI=1S/C9H16N2S/c1-4-7(2)5-6-9-10-8(3)11-12-9/h7H,4-6H2,1-3H3
InChIKeyQNMUKPHFOGNUEN-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.83
Rot. Bonds4

About 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole

3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole (PubChem CID 91486139) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole
PubChem CID91486139
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole
SMILESCCC(C)CCc1nc(C)ns1
InChIInChI=1S/C9H16N2S/c1-4-7(2)5-6-9-10-8(3)11-12-9/h7H,4-6H2,1-3H3
InChIKeyQNMUKPHFOGNUEN-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole (CID 91486139) is 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole is CCC(C)CCc1nc(C)ns1.
What is the InChIKey of 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole?
The InChIKey is QNMUKPHFOGNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-7(2)5-6-9-10-8(3)11-12-9/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole?
3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole has a molecular weight of 184.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylpentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 91486139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).