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

C15H17F3N2S — CID 106783952

IUPACN-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C15H17F3N2S/c1-3-7-19-10(2)11-5-4-6-12(8-11)13-9-20-14(21-13)15(16,17)18/h4-6,8-10,19H,3,7H2,1-2H3
InChIKeyXUQOUEFFENIQKR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.89
Rot. Bonds5

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

N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine (PubChem CID 106783952) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
PubChem CID106783952
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C15H17F3N2S/c1-3-7-19-10(2)11-5-4-6-12(8-11)13-9-20-14(21-13)15(16,17)18/h4-6,8-10,19H,3,7H2,1-2H3
InChIKeyXUQOUEFFENIQKR-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
CID 79996723
N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504675
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790
N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783159
N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
CID 114689884
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine (CID 106783952) is N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine?
The InChIKey is XUQOUEFFENIQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-3-7-19-10(2)11-5-4-6-12(8-11)13-9-20-14(21-13)15(16,17)18/h4-6,8-10,19H,3,7H2,1-2H3.
What are the key properties of N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine?
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine has a molecular weight of 314.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 106783952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).