5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole

C11H5ClF3N3S — CID 2743753

IUPAC5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESFC(F)(F)c1nnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C11H5ClF3N3S/c12-7-3-1-6(2-4-7)8-5-19-10-17-16-9(18(8)10)11(13,14)15/h1-5H
InChIKeyYWHVGVICIGFOCQ-UHFFFAOYSA-N
MW303.70 g/mol
LogP4.13
Rot. Bonds1

About 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole

5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 2743753) has the molecular formula C11H5ClF3N3S and a molecular weight of 303.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID2743753
Molecular FormulaC11H5ClF3N3S
Molecular Weight303.70 g/mol
Exact Mass302.98
IUPAC Name5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESFC(F)(F)c1nnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C11H5ClF3N3S/c12-7-3-1-6(2-4-7)8-5-19-10-17-16-9(18(8)10)11(13,14)15/h1-5H
InChIKeyYWHVGVICIGFOCQ-UHFFFAOYSA-N
XLogP4.13
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 2743753) is 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is FC(F)(F)c1nnc2scc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is YWHVGVICIGFOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3S/c12-7-3-1-6(2-4-7)8-5-19-10-17-16-9(18(8)10)11(13,14)15/h1-5H.
What are the key properties of 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 303.70 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 2743753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).