N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H16F3N3OS — CID 107304959

IUPACN-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCOC2CCCCC2)n1
InChIInChI=1S/C11H16F3N3OS/c12-11(13,14)9-16-10(19-17-9)15-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16,17)
InChIKeyJDULYHMWTOEUQT-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.32
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304959) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304959
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCOC2CCCCC2)n1
InChIInChI=1S/C11H16F3N3OS/c12-11(13,14)9-16-10(19-17-9)15-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16,17)
InChIKeyJDULYHMWTOEUQT-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304959) is N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCOC2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JDULYHMWTOEUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c12-11(13,14)9-16-10(19-17-9)15-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16,17).
What are the key properties of N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 295.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).