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

C10H15F3N4OS — CID 107305974

IUPACN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-2-14-5-7-6-18-4-3-17(7)9-15-8(16-19-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyAERGVCISYMMWSR-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.37
Rot. Bonds4

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

N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine (PubChem CID 107305974) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine
PubChem CID107305974
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC NameN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-2-14-5-7-6-18-4-3-17(7)9-15-8(16-19-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyAERGVCISYMMWSR-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476989
3-methoxy-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 106181741
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254
N'-(2-methoxyethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304489
5-(3-Methylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304580
5-(2,5-Dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304584
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684
N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304840
N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304874
N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304980

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine (CID 107305974) is N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is AERGVCISYMMWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-2-14-5-7-6-18-4-3-17(7)9-15-8(16-19-9)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 296.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 107305974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).