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

C8H10F3N3S — CID 71221271

IUPAC5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCCN(c2ncns2)C1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-2-1-3-14(4-6)7-12-5-13-15-7/h5-6H,1-4H2
InChIKeyKUQUMSANUBNEOT-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.32
Rot. Bonds1

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

5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 71221271) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID71221271
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCCN(c2ncns2)C1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-2-1-3-14(4-6)7-12-5-13-15-7/h5-6H,1-4H2
InChIKeyKUQUMSANUBNEOT-UHFFFAOYSA-N
XLogP2.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 71221271) is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is FC(F)(F)C1CCCN(c2ncns2)C1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is KUQUMSANUBNEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)6-2-1-3-14(4-6)7-12-5-13-15-7/h5-6H,1-4H2.
What are the key properties of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 237.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71221271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).