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

C11H17F3N4OS — CID 107305976

IUPACN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H17F3N4OS/c1-2-3-15-6-8-7-19-5-4-18(8)10-16-9(17-20-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyNGGUJOZTJAYNAI-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.76
Rot. Bonds5

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

N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 107305976) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID107305976
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H17F3N4OS/c1-2-3-15-6-8-7-19-5-4-18(8)10-16-9(17-20-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyNGGUJOZTJAYNAI-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
3-methoxy-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 106181741
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-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304963
N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304980
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305031

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine (CID 107305976) is N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is NGGUJOZTJAYNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-2-3-15-6-8-7-19-5-4-18(8)10-16-9(17-20-10)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 310.35 g/mol, XLogP of 1.76, 5 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]propan-1-amine is sourced from PubChem (CID 107305976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).