2-methyl-5-pentyl-1,3,4-thiadiazole

C8H14N2S — CID 67829886

IUPAC2-methyl-5-pentyl-1,3,4-thiadiazole
SMILESCCCCCc1nnc(C)s1
InChIInChI=1S/C8H14N2S/c1-3-4-5-6-8-10-9-7(2)11-8/h3-6H2,1-2H3
InChIKeyITJGISRHLJRNSW-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-5-pentyl-1,3,4-thiadiazole

2-methyl-5-pentyl-1,3,4-thiadiazole (PubChem CID 67829886) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-5-pentyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-pentyl-1,3,4-thiadiazole
PubChem CID67829886
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-methyl-5-pentyl-1,3,4-thiadiazole
SMILESCCCCCc1nnc(C)s1
InChIInChI=1S/C8H14N2S/c1-3-4-5-6-8-10-9-7(2)11-8/h3-6H2,1-2H3
InChIKeyITJGISRHLJRNSW-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.58
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 2-methyl-5-pentyl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-pentyl-1,3,4-thiadiazole (CID 67829886) is 2-methyl-5-pentyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-pentyl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-pentyl-1,3,4-thiadiazole is CCCCCc1nnc(C)s1.
What is the InChIKey of 2-methyl-5-pentyl-1,3,4-thiadiazole?
The InChIKey is ITJGISRHLJRNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-5-6-8-10-9-7(2)11-8/h3-6H2,1-2H3.
What are the key properties of 2-methyl-5-pentyl-1,3,4-thiadiazole?
2-methyl-5-pentyl-1,3,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentyl-1,3,4-thiadiazole is sourced from PubChem (CID 67829886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).