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

C8H3Cl2FN2S — CID 63385840

IUPAC2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(Cl)ccc1-c1nnc(Cl)s1
InChIInChI=1S/C8H3Cl2FN2S/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H
InChIKeyMCUDSSMSABEBIS-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.65
Rot. Bonds1

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

2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 63385840) has the molecular formula C8H3Cl2FN2S and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
PubChem CID63385840
Molecular FormulaC8H3Cl2FN2S
Molecular Weight249.10 g/mol
Exact Mass247.94
IUPAC Name2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(Cl)ccc1-c1nnc(Cl)s1
InChIInChI=1S/C8H3Cl2FN2S/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H
InChIKeyMCUDSSMSABEBIS-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole (CID 63385840) is 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole is Fc1cc(Cl)ccc1-c1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is MCUDSSMSABEBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2S/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 249.10 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63385840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).