2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine

C6H8F3N3S2 — CID 62576645

IUPAC2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)CNCCSc1nncs1
InChIInChI=1S/C6H8F3N3S2/c7-6(8,9)3-10-1-2-13-5-12-11-4-14-5/h4,10H,1-3H2
InChIKeyYVGLEFRSRCIEPV-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.78
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine (PubChem CID 62576645) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
PubChem CID62576645
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC Name2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)CNCCSc1nncs1
InChIInChI=1S/C6H8F3N3S2/c7-6(8,9)3-10-1-2-13-5-12-11-4-14-5/h4,10H,1-3H2
InChIKeyYVGLEFRSRCIEPV-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.78
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 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine (CID 62576645) is 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine is FC(F)(F)CNCCSc1nncs1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The InChIKey is YVGLEFRSRCIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c7-6(8,9)3-10-1-2-13-5-12-11-4-14-5/h4,10H,1-3H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine has a molecular weight of 243.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62576645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).