2-pentan-2-yl-1,3,4-thiadiazole

C7H12N2S — CID 91380838

IUPAC2-pentan-2-yl-1,3,4-thiadiazole
SMILESCCCC(C)c1nncs1
InChIInChI=1S/C7H12N2S/c1-3-4-6(2)7-9-8-5-10-7/h5-6H,3-4H2,1-2H3
InChIKeyRAZJAASUWZQLQL-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.44
Rot. Bonds3

About 2-pentan-2-yl-1,3,4-thiadiazole

2-pentan-2-yl-1,3,4-thiadiazole (PubChem CID 91380838) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-pentan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pentan-2-yl-1,3,4-thiadiazole
PubChem CID91380838
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-pentan-2-yl-1,3,4-thiadiazole
SMILESCCCC(C)c1nncs1
InChIInChI=1S/C7H12N2S/c1-3-4-6(2)7-9-8-5-10-7/h5-6H,3-4H2,1-2H3
InChIKeyRAZJAASUWZQLQL-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-pentan-2-yl-1,3,4-thiadiazole (CID 91380838) is 2-pentan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-pentan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-pentan-2-yl-1,3,4-thiadiazole is CCCC(C)c1nncs1.
What is the InChIKey of 2-pentan-2-yl-1,3,4-thiadiazole?
The InChIKey is RAZJAASUWZQLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-4-6(2)7-9-8-5-10-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-pentan-2-yl-1,3,4-thiadiazole?
2-pentan-2-yl-1,3,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 91380838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).