2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C11H5F3N2S3 — CID 66646937

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C11H5F3N2S3/c12-11(13,14)10-16-15-9(19-10)8-4-3-7(18-8)6-2-1-5-17-6/h1-5H
InChIKeyGBNVNBHIYYEDGN-UHFFFAOYSA-N
MW318.37 g/mol
LogP5.01
Rot. Bonds2

About 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 66646937) has the molecular formula C11H5F3N2S3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID66646937
Molecular FormulaC11H5F3N2S3
Molecular Weight318.37 g/mol
Exact Mass317.96
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C11H5F3N2S3/c12-11(13,14)10-16-15-9(19-10)8-4-3-7(18-8)6-2-1-5-17-6/h1-5H
InChIKeyGBNVNBHIYYEDGN-UHFFFAOYSA-N
XLogP5.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 66646937) is 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is GBNVNBHIYYEDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2S3/c12-11(13,14)10-16-15-9(19-10)8-4-3-7(18-8)6-2-1-5-17-6/h1-5H.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 318.37 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 66646937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).