2-(1-fluorobutyl)-1,3,4-thiadiazole

C6H9FN2S — CID 67207706

IUPAC2-(1-fluorobutyl)-1,3,4-thiadiazole
SMILESCCCC(F)c1nncs1
InChIInChI=1S/C6H9FN2S/c1-2-3-5(7)6-9-8-4-10-6/h4-5H,2-3H2,1H3
InChIKeyHINVQYDEHPWHIP-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.35
Rot. Bonds3

About 2-(1-fluorobutyl)-1,3,4-thiadiazole

2-(1-fluorobutyl)-1,3,4-thiadiazole (PubChem CID 67207706) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(1-fluorobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-fluorobutyl)-1,3,4-thiadiazole
PubChem CID67207706
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name2-(1-fluorobutyl)-1,3,4-thiadiazole
SMILESCCCC(F)c1nncs1
InChIInChI=1S/C6H9FN2S/c1-2-3-5(7)6-9-8-4-10-6/h4-5H,2-3H2,1H3
InChIKeyHINVQYDEHPWHIP-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-fluorobutyl)-1,3,4-thiadiazole (CID 67207706) is 2-(1-fluorobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-fluorobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-fluorobutyl)-1,3,4-thiadiazole is CCCC(F)c1nncs1.
What is the InChIKey of 2-(1-fluorobutyl)-1,3,4-thiadiazole?
The InChIKey is HINVQYDEHPWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-2-3-5(7)6-9-8-4-10-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1-fluorobutyl)-1,3,4-thiadiazole?
2-(1-fluorobutyl)-1,3,4-thiadiazole has a molecular weight of 160.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 67207706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).