5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole

C11H8ClF3N2OS — CID 133425351

IUPAC5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C11H8ClF3N2OS/c1-2-9-16-10(19-17-9)18-8-5-6(11(13,14)15)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyIPKYCXIWTFIHNP-UHFFFAOYSA-N
MW308.71 g/mol
LogP4.57
Rot. Bonds3

About 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole

5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133425351) has the molecular formula C11H8ClF3N2OS and a molecular weight of 308.71 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole
PubChem CID133425351
Molecular FormulaC11H8ClF3N2OS
Molecular Weight308.71 g/mol
Exact Mass308.00
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C11H8ClF3N2OS/c1-2-9-16-10(19-17-9)18-8-5-6(11(13,14)15)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyIPKYCXIWTFIHNP-UHFFFAOYSA-N
XLogP4.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole (CID 133425351) is 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is IPKYCXIWTFIHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2OS/c1-2-9-16-10(19-17-9)18-8-5-6(11(13,14)15)3-4-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole?
5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 308.71 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).