6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

C11H5ClF3N3S — CID 2806922

IUPAC6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C11H5ClF3N3S/c12-7-3-1-6(2-4-7)8-5-18-10(16-8)19-9(17-18)11(13,14)15/h1-5H
InChIKeyMTKGTJVXLZFLMP-UHFFFAOYSA-N
MW303.70 g/mol
LogP4.13
Rot. Bonds1

About 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 2806922) has the molecular formula C11H5ClF3N3S and a molecular weight of 303.70 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID2806922
Molecular FormulaC11H5ClF3N3S
Molecular Weight303.70 g/mol
Exact Mass302.98
IUPAC Name6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C11H5ClF3N3S/c12-7-3-1-6(2-4-7)8-5-18-10(16-8)19-9(17-18)11(13,14)15/h1-5H
InChIKeyMTKGTJVXLZFLMP-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 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 2806922) is 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is FC(F)(F)c1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MTKGTJVXLZFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3S/c12-7-3-1-6(2-4-7)8-5-18-10(16-8)19-9(17-18)11(13,14)15/h1-5H.
What are the key properties of 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole 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 6-(4-chlorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 2806922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).