3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole

C9H6ClFN2OS — CID 107657860

IUPAC3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole
SMILESCc1cccc(Oc2nsnc2Cl)c1F
InChIInChI=1S/C9H6ClFN2OS/c1-5-3-2-4-6(7(5)11)14-9-8(10)12-15-13-9/h2-4H,1H3
InChIKeyACNRGSJAMUQAEW-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.43
Rot. Bonds2

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

3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole (PubChem CID 107657860) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole
PubChem CID107657860
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole
SMILESCc1cccc(Oc2nsnc2Cl)c1F
InChIInChI=1S/C9H6ClFN2OS/c1-5-3-2-4-6(7(5)11)14-9-8(10)12-15-13-9/h2-4H,1H3
InChIKeyACNRGSJAMUQAEW-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 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole (CID 107657860) is 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole is Cc1cccc(Oc2nsnc2Cl)c1F.
What is the InChIKey of 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole?
The InChIKey is ACNRGSJAMUQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c1-5-3-2-4-6(7(5)11)14-9-8(10)12-15-13-9/h2-4H,1H3.
What are the key properties of 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-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 3-chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 107657860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).