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

C12H8ClF3N2OS — CID 133425350

IUPAC5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H8ClF3N2OS/c13-8-4-3-7(12(14,15)16)5-9(8)19-11-17-10(18-20-11)6-1-2-6/h3-6H,1-2H2
InChIKeyQPGZIOHSWABNGE-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.88
Rot. Bonds3

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

5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 133425350) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID133425350
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H8ClF3N2OS/c13-8-4-3-7(12(14,15)16)5-9(8)19-11-17-10(18-20-11)6-1-2-6/h3-6H,1-2H2
InChIKeyQPGZIOHSWABNGE-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.88
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-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole (CID 133425350) is 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole is FC(F)(F)c1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is QPGZIOHSWABNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c13-8-4-3-7(12(14,15)16)5-9(8)19-11-17-10(18-20-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole?
5-[2-chloro-5-(trifluoromethyl)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 320.72 g/mol, XLogP of 4.88, 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-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).