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

C5H7ClF3N3S — CID 175071507

IUPAC1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCC(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
InChIKeyQNNNKLZCXBICKH-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.00
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 175071507) has the molecular formula C5H7ClF3N3S and a molecular weight of 233.65 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
PubChem CID175071507
Molecular FormulaC5H7ClF3N3S
Molecular Weight233.65 g/mol
Exact Mass233.00
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCC(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
InChIKeyQNNNKLZCXBICKH-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride (CID 175071507) is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride is CC(N)c1nnc(C(F)(F)F)s1.Cl.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is QNNNKLZCXBICKH-UHFFFAOYSA-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.
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
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 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 175071507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).