N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H13F3N2S — CID 106783038

IUPACN-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-2-17-11(9-6-4-3-5-7-9)10-8-18-12(19-10)13(14,15)16/h3-8,11,17H,2H2,1H3
InChIKeyGZVGOHOMJMLHGB-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.86
Rot. Bonds4

About N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783038) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783038
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-2-17-11(9-6-4-3-5-7-9)10-8-18-12(19-10)13(14,15)16/h3-8,11,17H,2H2,1H3
InChIKeyGZVGOHOMJMLHGB-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
2,5-Diphenylthiazole
CID 3014233
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
(NE)-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 5902953
1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
CID 75382636
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190225
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190298
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190495

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783038) is N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1ccccc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is GZVGOHOMJMLHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-2-17-11(9-6-4-3-5-7-9)10-8-18-12(19-10)13(14,15)16/h3-8,11,17H,2H2,1H3.
What are the key properties of N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).