2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine

C5H6F3N3S — CID 79501465

IUPAC2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cnsn1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)3-9-1-4-2-10-12-11-4/h2,9H,1,3H2
InChIKeyLARSTYQVXMLDRE-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.19
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine (PubChem CID 79501465) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
PubChem CID79501465
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cnsn1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)3-9-1-4-2-10-12-11-4/h2,9H,1,3H2
InChIKeyLARSTYQVXMLDRE-UHFFFAOYSA-N
XLogP1.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine (CID 79501465) is 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine is FC(F)(F)CNCc1cnsn1.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The InChIKey is LARSTYQVXMLDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)3-9-1-4-2-10-12-11-4/h2,9H,1,3H2.
What are the key properties of 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine has a molecular weight of 197.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 79501465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).