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

C5H7ClF3N3S — CID 121397237

IUPAC(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1nnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C5H6F3N3S.ClH/c1-2(9)3-10-11-4(12-3)5(6,7)8;/h2H,9H2,1H3;1H/t2-;/m1./s1
InChIKeyQNNNKLZCXBICKH-HSHFZTNMSA-N
MW233.65 g/mol
LogP2.00
Rot. Bonds1

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

(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 121397237) has the molecular formula C5H7ClF3N3S and a molecular weight of 233.65 g/mol. Its IUPAC name is (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
PubChem CID121397237
Molecular FormulaC5H7ClF3N3S
Molecular Weight233.65 g/mol
Exact Mass233.00
IUPAC Name(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
SMILESC[C@@H](N)c1nnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C5H6F3N3S.ClH/c1-2(9)3-10-11-4(12-3)5(6,7)8;/h2H,9H2,1H3;1H/t2-;/m1./s1
InChIKeyQNNNKLZCXBICKH-HSHFZTNMSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)ethan-1-amine
CID 20655905
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82657787
(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 96858366
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
CID 175071507
2-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]ethanamine
CID 51000276
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 65703343
N-ethyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65704536
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65705448
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 65705778
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65706152
[5-(3,3,3-Trifluoropropyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65714249
3-[5-(3,3,3-Trifluoropropyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65714250

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride (CID 121397237) is (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride is C[C@@H](N)c1nnc(C(F)(F)F)s1.Cl.
What is the InChIKey of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is QNNNKLZCXBICKH-HSHFZTNMSA-N. The full InChI is InChI=1S/C5H6F3N3S.ClH/c1-2(9)3-10-11-4(12-3)5(6,7)8;/h2H,9H2,1H3;1H/t2-;/m1./s1.
What are the key properties of (1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of 2.00, 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;hydrochloride is sourced from PubChem (CID 121397237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).