5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole

C9H6ClFN2OS — CID 133425387

IUPAC5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(Cl)cc2F)n1
InChIInChI=1S/C9H6ClFN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(10)4-7(8)11/h2-4H,1H3
InChIKeyGDGYJUKELQJKDO-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.43
Rot. Bonds2

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

5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole (PubChem CID 133425387) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
PubChem CID133425387
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(Cl)cc2F)n1
InChIInChI=1S/C9H6ClFN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(10)4-7(8)11/h2-4H,1H3
InChIKeyGDGYJUKELQJKDO-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole (CID 133425387) is 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole is Cc1nsc(Oc2ccc(Cl)cc2F)n1.
What is the InChIKey of 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The InChIKey is GDGYJUKELQJKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(10)4-7(8)11/h2-4H,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole has a molecular weight of 244.68 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenoxy)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).