4-methyl-5-(3-methylpentan-3-yl)thiadiazole

C9H16N2S — CID 123948715

IUPAC4-methyl-5-(3-methylpentan-3-yl)thiadiazole
SMILESCCC(C)(CC)c1snnc1C
InChIInChI=1S/C9H16N2S/c1-5-9(4,6-2)8-7(3)10-11-12-8/h5-6H2,1-4H3
InChIKeyQDVMOKOZCVBZDQ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.92
Rot. Bonds3

About 4-methyl-5-(3-methylpentan-3-yl)thiadiazole

4-methyl-5-(3-methylpentan-3-yl)thiadiazole (PubChem CID 123948715) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-methyl-5-(3-methylpentan-3-yl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylpentan-3-yl)thiadiazole
PubChem CID123948715
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4-methyl-5-(3-methylpentan-3-yl)thiadiazole
SMILESCCC(C)(CC)c1snnc1C
InChIInChI=1S/C9H16N2S/c1-5-9(4,6-2)8-7(3)10-11-12-8/h5-6H2,1-4H3
InChIKeyQDVMOKOZCVBZDQ-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylpentan-3-yl)thiadiazole?
The IUPAC name of 4-methyl-5-(3-methylpentan-3-yl)thiadiazole (CID 123948715) is 4-methyl-5-(3-methylpentan-3-yl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(3-methylpentan-3-yl)thiadiazole?
The canonical SMILES for 4-methyl-5-(3-methylpentan-3-yl)thiadiazole is CCC(C)(CC)c1snnc1C.
What is the InChIKey of 4-methyl-5-(3-methylpentan-3-yl)thiadiazole?
The InChIKey is QDVMOKOZCVBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-9(4,6-2)8-7(3)10-11-12-8/h5-6H2,1-4H3.
What are the key properties of 4-methyl-5-(3-methylpentan-3-yl)thiadiazole?
4-methyl-5-(3-methylpentan-3-yl)thiadiazole has a molecular weight of 184.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylpentan-3-yl)thiadiazole is sourced from PubChem (CID 123948715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).