1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

C7H10F3N3OS — CID 103213284

IUPAC1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-4(11)6-13-12-5(15-6)2-14-3-7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyOYNREQWFQFQYIJ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.64
Rot. Bonds4

About 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 103213284) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID103213284
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-4(11)6-13-12-5(15-6)2-14-3-7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyOYNREQWFQFQYIJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 103213284) is 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC(N)c1nnc(COCC(F)(F)F)s1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is OYNREQWFQFQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-4(11)6-13-12-5(15-6)2-14-3-7(8,9)10/h4H,2-3,11H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 241.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 103213284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).