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

C11H10F3N3S — CID 105169295

IUPAC2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESNC(Cc1nccs1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)7-1-2-9(17-6-7)8(15)5-10-16-3-4-18-10/h1-4,6,8H,5,15H2
InChIKeyHFUUDXRYVSQISV-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.80
Rot. Bonds3

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

2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 105169295) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID105169295
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESNC(Cc1nccs1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)7-1-2-9(17-6-7)8(15)5-10-16-3-4-18-10/h1-4,6,8H,5,15H2
InChIKeyHFUUDXRYVSQISV-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 105014893
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
2-(2,3-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 107312168
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105113529
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 130594678
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 105169295) is 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is NC(Cc1nccs1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is HFUUDXRYVSQISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c12-11(13,14)7-1-2-9(17-6-7)8(15)5-10-16-3-4-18-10/h1-4,6,8H,5,15H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 273.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 105169295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).