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

C8H11F3N4S — CID 66278807

IUPAC5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)5-2-1-3-15(4-5)7-13-6(12)14-16-7/h5H,1-4H2,(H2,12,14)
InChIKeyRPSCXHHXRGCJJR-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.90
Rot. Bonds1

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

5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 66278807) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
PubChem CID66278807
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)5-2-1-3-15(4-5)7-13-6(12)14-16-7/h5H,1-4H2,(H2,12,14)
InChIKeyRPSCXHHXRGCJJR-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
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-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 141352814
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107304495
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
CID 107304496
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107305303
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine
CID 107305364
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboximidamide
CID 113943911
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine
CID 113944030
N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113944067

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine (CID 66278807) is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is RPSCXHHXRGCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)5-2-1-3-15(4-5)7-13-6(12)14-16-7/h5H,1-4H2,(H2,12,14).
What are the key properties of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 252.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).