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

C13H13F3N2S — CID 106783008

IUPACN-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-17-10(7-9-5-3-2-4-6-9)11-8-18-12(19-11)13(14,15)16/h2-6,8,10,17H,7H2,1H3
InChIKeyPBRBMKPGHVZWFA-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.67
Rot. Bonds4

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

N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783008) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783008
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-17-10(7-9-5-3-2-4-6-9)11-8-18-12(19-11)13(14,15)16/h2-6,8,10,17H,7H2,1H3
InChIKeyPBRBMKPGHVZWFA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783008) is N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PBRBMKPGHVZWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-17-10(7-9-5-3-2-4-6-9)11-8-18-12(19-11)13(14,15)16/h2-6,8,10,17H,7H2,1H3.
What are the key properties of N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).