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

C8H5FN2S — CID 67876203

IUPAC2-(2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1ccccc1-c1nncs1
InChIInChI=1S/C8H5FN2S/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H
InChIKeyHITCQPKBPUMFMG-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.34
Rot. Bonds1

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

2-(2-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 67876203) has the molecular formula C8H5FN2S and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3,4-thiadiazole
PubChem CID67876203
Molecular FormulaC8H5FN2S
Molecular Weight180.21 g/mol
Exact Mass180.02
IUPAC Name2-(2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1ccccc1-c1nncs1
InChIInChI=1S/C8H5FN2S/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H
InChIKeyHITCQPKBPUMFMG-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluorophenyl)-1,3,4-thiadiazole (CID 67876203) is 2-(2-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-1,3,4-thiadiazole is Fc1ccccc1-c1nncs1.
What is the InChIKey of 2-(2-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is HITCQPKBPUMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2S/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(2-fluorophenyl)-1,3,4-thiadiazole?
2-(2-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 180.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 67876203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).