2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C12H10F4N2S — CID 106782983

IUPAC2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1ccc(F)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F4N2S/c13-8-3-1-7(2-4-8)5-9(17)10-6-18-11(19-10)12(14,15)16/h1-4,6,9H,5,17H2
InChIKeyFDDFFXGCALFCCW-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106782983) has the molecular formula C12H10F4N2S and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106782983
Molecular FormulaC12H10F4N2S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1ccc(F)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F4N2S/c13-8-3-1-7(2-4-8)5-9(17)10-6-18-11(19-10)12(14,15)16/h1-4,6,9H,5,17H2
InChIKeyFDDFFXGCALFCCW-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.54
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-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
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 123793649
4-(1,3-Thiazol-5-yl)aniline
CID 11298271
5-((3,4-Difluorophenyl)methyl)-1,3-thiazol-2-amine
CID 16778519
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
1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
CID 84588992
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 134793893
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134793971

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106782983) is 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(Cc1ccc(F)cc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FDDFFXGCALFCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2S/c13-8-3-1-7(2-4-8)5-9(17)10-6-18-11(19-10)12(14,15)16/h1-4,6,9H,5,17H2.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106782983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).