(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine

C5H6F3N3S — CID 96858366

IUPAC(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESC[C@@H](N)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3/t2-/m1/s1
InChIKeyFCLYKLKPYIUQND-UWTATZPHSA-N
MW197.19 g/mol
LogP1.58
Rot. Bonds1

About (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine

(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 96858366) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID96858366
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC Name(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESC[C@@H](N)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3/t2-/m1/s1
InChIKeyFCLYKLKPYIUQND-UWTATZPHSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 96858366) is (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine is C[C@@H](N)c1nnc(C(F)(F)F)s1.
What is the InChIKey of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is FCLYKLKPYIUQND-UWTATZPHSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3/t2-/m1/s1.
What are the key properties of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 197.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 96858366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).