5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole

C8H3ClF3N3S — CID 71187240

IUPAC5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccc(-c2nsc(Cl)n2)cn1
InChIInChI=1S/C8H3ClF3N3S/c9-7-14-6(15-16-7)4-1-2-5(13-3-4)8(10,11)12/h1-3H
InChIKeyLAFABTWYSCWSKN-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.27
Rot. Bonds1

About 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole

5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole (PubChem CID 71187240) has the molecular formula C8H3ClF3N3S and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole
PubChem CID71187240
Molecular FormulaC8H3ClF3N3S
Molecular Weight265.65 g/mol
Exact Mass264.97
IUPAC Name5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccc(-c2nsc(Cl)n2)cn1
InChIInChI=1S/C8H3ClF3N3S/c9-7-14-6(15-16-7)4-1-2-5(13-3-4)8(10,11)12/h1-3H
InChIKeyLAFABTWYSCWSKN-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole (CID 71187240) is 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole is FC(F)(F)c1ccc(-c2nsc(Cl)n2)cn1.
What is the InChIKey of 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole?
The InChIKey is LAFABTWYSCWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3S/c9-7-14-6(15-16-7)4-1-2-5(13-3-4)8(10,11)12/h1-3H.
What are the key properties of 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole?
5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole has a molecular weight of 265.65 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole is sourced from PubChem (CID 71187240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).