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

C6H8ClF3N2S — CID 122163992

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1cnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C6H7F3N2S.ClH/c1-3(10)4-2-11-5(12-4)6(7,8)9;/h2-3H,10H2,1H3;1H
InChIKeyTWKRAZDMGZWNRH-UHFFFAOYSA-N
MW232.66 g/mol
LogP2.60
Rot. Bonds1

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride (PubChem CID 122163992) has the molecular formula C6H8ClF3N2S and a molecular weight of 232.66 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride
PubChem CID122163992
Molecular FormulaC6H8ClF3N2S
Molecular Weight232.66 g/mol
Exact Mass232.00
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1cnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C6H7F3N2S.ClH/c1-3(10)4-2-11-5(12-4)6(7,8)9;/h2-3H,10H2,1H3;1H
InChIKeyTWKRAZDMGZWNRH-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride (CID 122163992) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride is CC(N)c1cnc(C(F)(F)F)s1.Cl.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is TWKRAZDMGZWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S.ClH/c1-3(10)4-2-11-5(12-4)6(7,8)9;/h2-3H,10H2,1H3;1H.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 232.66 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 122163992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).