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

C14H15F3N2S — CID 106783009

IUPACN-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H15F3N2S/c1-2-18-11(8-10-6-4-3-5-7-10)12-9-19-13(20-12)14(15,16)17/h3-7,9,11,18H,2,8H2,1H3
InChIKeyZRSUHCUAJWFOOJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.06
Rot. Bonds5

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

N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783009) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783009
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H15F3N2S/c1-2-18-11(8-10-6-4-3-5-7-10)12-9-19-13(20-12)14(15,16)17/h3-7,9,11,18H,2,8H2,1H3
InChIKeyZRSUHCUAJWFOOJ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.06
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
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
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
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 123793649
2,2-Dimethyl-1-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]propan-1-one
CID 56668899
4-(1,3-Thiazol-5-yl)aniline
CID 11298271
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783009) is N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZRSUHCUAJWFOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-2-18-11(8-10-6-4-3-5-7-10)12-9-19-13(20-12)14(15,16)17/h3-7,9,11,18H,2,8H2,1H3.
What are the key properties of N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 300.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).