3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole

C14H8F2N2S — CID 165176009

IUPAC3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole
SMILESFc1ccc(-c2nsnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H8F2N2S/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyLIKUKODAYSGMCV-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.15
Rot. Bonds2

About 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole

3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole (PubChem CID 165176009) has the molecular formula C14H8F2N2S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole
PubChem CID165176009
Molecular FormulaC14H8F2N2S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole
SMILESFc1ccc(-c2nsnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H8F2N2S/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyLIKUKODAYSGMCV-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole?
The IUPAC name of 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole (CID 165176009) is 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole?
The canonical SMILES for 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole is Fc1ccc(-c2nsnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole?
The InChIKey is LIKUKODAYSGMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2S/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole?
3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole has a molecular weight of 274.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-fluorophenyl)-1,2,5-thiadiazole is sourced from PubChem (CID 165176009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).