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

C10H6ClF3N2OS — CID 133425349

IUPAC5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C10H6ClF3N2OS/c1-5-15-9(18-16-5)17-8-4-6(10(12,13)14)2-3-7(8)11/h2-4H,1H3
InChIKeyJMAFVNFHYHBWLX-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.31
Rot. Bonds2

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

5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole (PubChem CID 133425349) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole
PubChem CID133425349
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C10H6ClF3N2OS/c1-5-15-9(18-16-5)17-8-4-6(10(12,13)14)2-3-7(8)11/h2-4H,1H3
InChIKeyJMAFVNFHYHBWLX-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.31
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-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole (CID 133425349) is 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole is Cc1nsc(Oc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole?
The InChIKey is JMAFVNFHYHBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c1-5-15-9(18-16-5)17-8-4-6(10(12,13)14)2-3-7(8)11/h2-4H,1H3.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole?
5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-methyl-1,2,4-thiadiazole has a molecular weight of 294.69 g/mol, XLogP of 4.31, 2 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-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).