5-chloro-4-(4-fluorophenyl)thiadiazole

C8H4ClFN2S — CID 2773737

IUPAC5-chloro-4-(4-fluorophenyl)thiadiazole
SMILESFc1ccc(-c2nnsc2Cl)cc1
InChIInChI=1S/C8H4ClFN2S/c9-8-7(11-12-13-8)5-1-3-6(10)4-2-5/h1-4H
InChIKeyFCNANLLBSCATLF-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.00
Rot. Bonds1

About 5-chloro-4-(4-fluorophenyl)thiadiazole

5-chloro-4-(4-fluorophenyl)thiadiazole (PubChem CID 2773737) has the molecular formula C8H4ClFN2S and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-4-(4-fluorophenyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(4-fluorophenyl)thiadiazole
PubChem CID2773737
Molecular FormulaC8H4ClFN2S
Molecular Weight214.65 g/mol
Exact Mass213.98
IUPAC Name5-chloro-4-(4-fluorophenyl)thiadiazole
SMILESFc1ccc(-c2nnsc2Cl)cc1
InChIInChI=1S/C8H4ClFN2S/c9-8-7(11-12-13-8)5-1-3-6(10)4-2-5/h1-4H
InChIKeyFCNANLLBSCATLF-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-fluorophenyl)thiadiazole?
The IUPAC name of 5-chloro-4-(4-fluorophenyl)thiadiazole (CID 2773737) is 5-chloro-4-(4-fluorophenyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(4-fluorophenyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(4-fluorophenyl)thiadiazole is Fc1ccc(-c2nnsc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-fluorophenyl)thiadiazole?
The InChIKey is FCNANLLBSCATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S/c9-8-7(11-12-13-8)5-1-3-6(10)4-2-5/h1-4H.
What are the key properties of 5-chloro-4-(4-fluorophenyl)thiadiazole?
5-chloro-4-(4-fluorophenyl)thiadiazole has a molecular weight of 214.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-fluorophenyl)thiadiazole is sourced from PubChem (CID 2773737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).