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

C5H6F3N3S2 — CID 43753028

IUPAC3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESNCC(Sc1nncs1)C(F)(F)F
InChIInChI=1S/C5H6F3N3S2/c6-5(7,8)3(1-9)13-4-11-10-2-12-4/h2-3H,1,9H2
InChIKeyMEKBOCBQNVBASB-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.52
Rot. Bonds3

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

3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 43753028) has the molecular formula C5H6F3N3S2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID43753028
Molecular FormulaC5H6F3N3S2
Molecular Weight229.25 g/mol
Exact Mass229.00
IUPAC Name3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESNCC(Sc1nncs1)C(F)(F)F
InChIInChI=1S/C5H6F3N3S2/c6-5(7,8)3(1-9)13-4-11-10-2-12-4/h2-3H,1,9H2
InChIKeyMEKBOCBQNVBASB-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 43753028) is 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is NCC(Sc1nncs1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is MEKBOCBQNVBASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S2/c6-5(7,8)3(1-9)13-4-11-10-2-12-4/h2-3H,1,9H2.
What are the key properties of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 229.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 43753028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).