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

C8H5FN2S — CID 130052469

IUPAC2-(3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nncs2)c1
InChIInChI=1S/C8H5FN2S/c9-7-3-1-2-6(4-7)8-11-10-5-12-8/h1-5H
InChIKeySSBJLBZYSSXTCG-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.34
Rot. Bonds1

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

2-(3-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 130052469) has the molecular formula C8H5FN2S and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,3,4-thiadiazole
PubChem CID130052469
Molecular FormulaC8H5FN2S
Molecular Weight180.21 g/mol
Exact Mass180.02
IUPAC Name2-(3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cccc(-c2nncs2)c1
InChIInChI=1S/C8H5FN2S/c9-7-3-1-2-6(4-7)8-11-10-5-12-8/h1-5H
InChIKeySSBJLBZYSSXTCG-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-(3-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluorophenyl)-1,3,4-thiadiazole (CID 130052469) is 2-(3-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-1,3,4-thiadiazole is Fc1cccc(-c2nncs2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is SSBJLBZYSSXTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2S/c9-7-3-1-2-6(4-7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(3-fluorophenyl)-1,3,4-thiadiazole?
2-(3-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-(3-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).