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

C7H3F3N2S2 — CID 66646630

IUPAC2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-c2cccs2)s1
InChIInChI=1S/C7H3F3N2S2/c8-7(9,10)6-12-11-5(14-6)4-2-1-3-13-4/h1-3H
InChIKeyZLHXQGMMHSDHNS-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.29
Rot. Bonds1

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

2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 66646630) has the molecular formula C7H3F3N2S2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID66646630
Molecular FormulaC7H3F3N2S2
Molecular Weight236.24 g/mol
Exact Mass235.97
IUPAC Name2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-c2cccs2)s1
InChIInChI=1S/C7H3F3N2S2/c8-7(9,10)6-12-11-5(14-6)4-2-1-3-13-4/h1-3H
InChIKeyZLHXQGMMHSDHNS-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 66646630) is 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(-c2cccs2)s1.
What is the InChIKey of 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is ZLHXQGMMHSDHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2S2/c8-7(9,10)6-12-11-5(14-6)4-2-1-3-13-4/h1-3H.
What are the key properties of 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 236.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 66646630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).