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

C7H12N2S — CID 90705926

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

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

2-pentan-3-yl-1,3,4-thiadiazole (PubChem CID 90705926) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-pentan-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pentan-3-yl-1,3,4-thiadiazole
PubChem CID90705926
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-pentan-3-yl-1,3,4-thiadiazole
SMILESCCC(CC)c1nncs1
InChIInChI=1S/C7H12N2S/c1-3-6(4-2)7-9-8-5-10-7/h5-6H,3-4H2,1-2H3
InChIKeyUMIUFRROZROFSQ-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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Related Compounds

Ethyl[1,3,4]thiadiazol
CID 19082030
2-(1-Fluorobutyl)-1,3,4-thiadiazole
CID 67207706
2-Propyl-1,3,4-thiadiazole
CID 18967869
2-Cyclohexyl-1,3,4-thiadiazole
CID 19698736
2-(2-Ethylhexyl)-1,3,4-thiadiazole
CID 20427074
2-Butan-2-yl-1,3,4-thiadiazole
CID 20466570
2-Tert-butyl-1,3,4-thiadiazole
CID 20502975
2-Butyl-1,3,4-thiadiazole
CID 20551529
2-(2-Methylpropyl)-1,3,4-thiadiazole
CID 20977066
2-Propan-2-yl-1,3,4-thiadiazole
CID 23384811
2-Cyclopropyl-1,3,4-thiadiazole
CID 53713544
2-(2,2-Dimethylpropyl)-1,3,4-thiadiazole
CID 58695826

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-pentan-3-yl-1,3,4-thiadiazole (CID 90705926) is 2-pentan-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-pentan-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-pentan-3-yl-1,3,4-thiadiazole is CCC(CC)c1nncs1.
What is the InChIKey of 2-pentan-3-yl-1,3,4-thiadiazole?
The InChIKey is UMIUFRROZROFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-6(4-2)7-9-8-5-10-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-pentan-3-yl-1,3,4-thiadiazole?
2-pentan-3-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-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 90705926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).