4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine

C6H8F3N3S2 — CID 43753428

IUPAC4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESNCCC(Sc1nncs1)C(F)(F)F
InChIInChI=1S/C6H8F3N3S2/c7-6(8,9)4(1-2-10)14-5-12-11-3-13-5/h3-4H,1-2,10H2
InChIKeyXPQDYKTXWFLDTN-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.91
Rot. Bonds4

About 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine

4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (PubChem CID 43753428) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
PubChem CID43753428
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC Name4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESNCCC(Sc1nncs1)C(F)(F)F
InChIInChI=1S/C6H8F3N3S2/c7-6(8,9)4(1-2-10)14-5-12-11-3-13-5/h3-4H,1-2,10H2
InChIKeyXPQDYKTXWFLDTN-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (CID 43753428) is 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is NCCC(Sc1nncs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The InChIKey is XPQDYKTXWFLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c7-6(8,9)4(1-2-10)14-5-12-11-3-13-5/h3-4H,1-2,10H2.
What are the key properties of 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine has a molecular weight of 243.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 43753428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).