2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C11H10F3N3S2 — CID 107525458

IUPAC2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSc1ncns1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3S2/c12-11(13,14)8-4-2-1-3-7(8)9(15)5-18-10-16-6-17-19-10/h1-4,6,9H,5,15H2
InChIKeyDVFZTQJOUUUSLC-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.35
Rot. Bonds4

About 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107525458) has the molecular formula C11H10F3N3S2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID107525458
Molecular FormulaC11H10F3N3S2
Molecular Weight305.35 g/mol
Exact Mass305.03
IUPAC Name2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CSc1ncns1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3S2/c12-11(13,14)8-4-2-1-3-7(8)9(15)5-18-10-16-6-17-19-10/h1-4,6,9H,5,15H2
InChIKeyDVFZTQJOUUUSLC-UHFFFAOYSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 107525458) is 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is NC(CSc1ncns1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DVFZTQJOUUUSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S2/c12-11(13,14)8-4-2-1-3-7(8)9(15)5-18-10-16-6-17-19-10/h1-4,6,9H,5,15H2.
What are the key properties of 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 305.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107525458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).