2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride

C12H12ClF3N2S — CID 156593509

IUPAC2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
SMILESCl.NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N2S.ClH/c13-12(14,15)9-3-1-8(2-4-9)11-17-10(5-6-16)7-18-11;/h1-4,7H,5-6,16H2;1H
InChIKeyJYELKPUCOKPHMO-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.75
Rot. Bonds3

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

2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride (PubChem CID 156593509) has the molecular formula C12H12ClF3N2S and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
PubChem CID156593509
Molecular FormulaC12H12ClF3N2S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
SMILESCl.NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N2S.ClH/c13-12(14,15)9-3-1-8(2-4-9)11-17-10(5-6-16)7-18-11;/h1-4,7H,5-6,16H2;1H
InChIKeyJYELKPUCOKPHMO-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
4-(3-azidopropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 91379508
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7163678
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022
ethyl 2-oxo-2-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylamino]acetate
CID 7163682

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride (CID 156593509) is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride is Cl.NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride?
The InChIKey is JYELKPUCOKPHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S.ClH/c13-12(14,15)9-3-1-8(2-4-9)11-17-10(5-6-16)7-18-11;/h1-4,7H,5-6,16H2;1H.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride?
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 156593509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).