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

C8H10F3N3S — CID 748105

IUPAC2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCCCC2)s1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-12-13-7(15-6)14-4-2-1-3-5-14/h1-5H2
InChIKeyMIZAXPVYVZIIRW-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.55
Rot. Bonds1

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

2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 748105) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID748105
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCCCC2)s1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-12-13-7(15-6)14-4-2-1-3-5-14/h1-5H2
InChIKeyMIZAXPVYVZIIRW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 748105) is 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCCCC2)s1.
What is the InChIKey of 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is MIZAXPVYVZIIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)6-12-13-7(15-6)14-4-2-1-3-5-14/h1-5H2.
What are the key properties of 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 237.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 748105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).