N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine

C8H11F3N4S — CID 107305451

IUPACN-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H11F3N4S/c1-12-5-2-3-15(4-5)7-13-6(14-16-7)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyLZJZYWRJAJRGSP-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.36
Rot. Bonds2

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

N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine (PubChem CID 107305451) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
PubChem CID107305451
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H11F3N4S/c1-12-5-2-3-15(4-5)7-13-6(14-16-7)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyLZJZYWRJAJRGSP-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine (CID 107305451) is N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine is CNC1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
The InChIKey is LZJZYWRJAJRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-12-5-2-3-15(4-5)7-13-6(14-16-7)8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine?
N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine has a molecular weight of 252.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-amine is sourced from PubChem (CID 107305451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).