1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine

C13H13F3N2S — CID 62366704

IUPAC1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNC(Cc1csc(CC(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H13F3N2S/c14-13(15,16)7-12-18-10(8-19-12)6-11(17)9-4-2-1-3-5-9/h1-5,8,11H,6-7,17H2
InChIKeyDDSIPUHMLLFYTJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.49
Rot. Bonds4

About 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine

1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 62366704) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID62366704
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNC(Cc1csc(CC(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C13H13F3N2S/c14-13(15,16)7-12-18-10(8-19-12)6-11(17)9-4-2-1-3-5-9/h1-5,8,11H,6-7,17H2
InChIKeyDDSIPUHMLLFYTJ-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 116774484
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126
4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969906
4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 167449137
2-[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 79570144
2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 62750149
2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 113461190
1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996961
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
CID 63196625
2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65272739
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65280107

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine (CID 62366704) is 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine is NC(Cc1csc(CC(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DDSIPUHMLLFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c14-13(15,16)7-12-18-10(8-19-12)6-11(17)9-4-2-1-3-5-9/h1-5,8,11H,6-7,17H2.
What are the key properties of 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 62366704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).