N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H13F3N4OS — CID 106308254

IUPACN-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNCCOCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H13F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-3-1-4-16-5-2-12/h1-5,12H2,(H,13,14,15)
InChIKeyKZDISQZHNBLERW-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.33
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106308254) has the molecular formula C8H13F3N4OS and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID106308254
Molecular FormulaC8H13F3N4OS
Molecular Weight270.28 g/mol
Exact Mass270.08
IUPAC NameN-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNCCOCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H13F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-3-1-4-16-5-2-12/h1-5,12H2,(H,13,14,15)
InChIKeyKZDISQZHNBLERW-UHFFFAOYSA-N
XLogP1.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
CID 107305091
N-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107305293
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65271490
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 82947352
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 106308254) is N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is NCCOCCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KZDISQZHNBLERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-3-1-4-16-5-2-12/h1-5,12H2,(H,13,14,15).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 270.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106308254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).