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

C10H15F3N4S — CID 107305947

IUPACN-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-2-14-6-7-4-3-5-17(7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyFOEHIJRXQHBQQY-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.14
Rot. Bonds4

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

N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 107305947) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine
PubChem CID107305947
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-2-14-6-7-4-3-5-17(7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyFOEHIJRXQHBQQY-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine (CID 107305947) is N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is FOEHIJRXQHBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-2-14-6-7-4-3-5-17(7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 280.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107305947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).