4-methyl-5-pentan-2-ylthiadiazole

C8H14N2S — CID 123793819

IUPAC4-methyl-5-pentan-2-ylthiadiazole
SMILESCCCC(C)c1snnc1C
InChIInChI=1S/C8H14N2S/c1-4-5-6(2)8-7(3)9-10-11-8/h6H,4-5H2,1-3H3
InChIKeyPQKYIVKBEQZXFN-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.75
Rot. Bonds3

About 4-methyl-5-pentan-2-ylthiadiazole

4-methyl-5-pentan-2-ylthiadiazole (PubChem CID 123793819) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-methyl-5-pentan-2-ylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-pentan-2-ylthiadiazole
PubChem CID123793819
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-methyl-5-pentan-2-ylthiadiazole
SMILESCCCC(C)c1snnc1C
InChIInChI=1S/C8H14N2S/c1-4-5-6(2)8-7(3)9-10-11-8/h6H,4-5H2,1-3H3
InChIKeyPQKYIVKBEQZXFN-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-pentan-2-ylthiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pentan-2-ylthiadiazole?
The IUPAC name of 4-methyl-5-pentan-2-ylthiadiazole (CID 123793819) is 4-methyl-5-pentan-2-ylthiadiazole.
What is the SMILES notation for 4-methyl-5-pentan-2-ylthiadiazole?
The canonical SMILES for 4-methyl-5-pentan-2-ylthiadiazole is CCCC(C)c1snnc1C.
What is the InChIKey of 4-methyl-5-pentan-2-ylthiadiazole?
The InChIKey is PQKYIVKBEQZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-5-6(2)8-7(3)9-10-11-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-methyl-5-pentan-2-ylthiadiazole?
4-methyl-5-pentan-2-ylthiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentan-2-ylthiadiazole is sourced from PubChem (CID 123793819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).