2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole

C8H4F3N3S — CID 126722070

IUPAC2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cncc(-c2nncs2)c1
InChIInChI=1S/C8H4F3N3S/c9-8(10,11)6-1-5(2-12-3-6)7-14-13-4-15-7/h1-4H
InChIKeyRFFXJOYJMRCYCY-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.62
Rot. Bonds1

About 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole

2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole (PubChem CID 126722070) has the molecular formula C8H4F3N3S and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
PubChem CID126722070
Molecular FormulaC8H4F3N3S
Molecular Weight231.20 g/mol
Exact Mass231.01
IUPAC Name2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cncc(-c2nncs2)c1
InChIInChI=1S/C8H4F3N3S/c9-8(10,11)6-1-5(2-12-3-6)7-14-13-4-15-7/h1-4H
InChIKeyRFFXJOYJMRCYCY-UHFFFAOYSA-N
XLogP2.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole (CID 126722070) is 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole is FC(F)(F)c1cncc(-c2nncs2)c1.
What is the InChIKey of 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
The InChIKey is RFFXJOYJMRCYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3S/c9-8(10,11)6-1-5(2-12-3-6)7-14-13-4-15-7/h1-4H.
What are the key properties of 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole has a molecular weight of 231.20 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole is sourced from PubChem (CID 126722070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).