N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C7H10F3N3OS — CID 63828537

IUPACN-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1csnn1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)5-14-2-1-11-3-6-4-15-13-12-6/h4,11H,1-3,5H2
InChIKeyDGPAUEDMFDXAQL-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.21
Rot. Bonds6

About N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63828537) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63828537
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC NameN-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1csnn1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)5-14-2-1-11-3-6-4-15-13-12-6/h4,11H,1-3,5H2
InChIKeyDGPAUEDMFDXAQL-UHFFFAOYSA-N
XLogP1.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.21
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-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63828537) is N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1csnn1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DGPAUEDMFDXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)5-14-2-1-11-3-6-4-15-13-12-6/h4,11H,1-3,5H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 241.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63828537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).