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

C8H10F3N3S — CID 141352814

IUPAC3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCN(c2ncsn2)CC1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-1-3-14(4-2-6)7-12-5-15-13-7/h5-6H,1-4H2
InChIKeyOGZCMIVNHGQLMW-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.32
Rot. Bonds1

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

3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 141352814) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID141352814
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCN(c2ncsn2)CC1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-1-3-14(4-2-6)7-12-5-15-13-7/h5-6H,1-4H2
InChIKeyOGZCMIVNHGQLMW-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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Related Compounds

3-Methylthio-5-(3-trifluoromethylpiperidino)-1,2,4-thiadiazole
CID 58792132
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 71221271
3-(4,4-Difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 141352816
3-(4-Fluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 141352817
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278807
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133486731
5-(4-Propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole
CID 59598934
5-(4-Methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 89002903
5-(3,5-Dimethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 89385947
5-Piperidin-1-yl-1,2,4-thiadiazole
CID 90942214
3-Piperidin-1-yl-1,2,4-thiadiazole
CID 175948156

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 141352814) is 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is FC(F)(F)C1CCN(c2ncsn2)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is OGZCMIVNHGQLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)6-1-3-14(4-2-6)7-12-5-15-13-7/h5-6H,1-4H2.
What are the key properties of 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
3-[4-(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 3-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 141352814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).