1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine

C11H7F5N2S — CID 105030337

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N2S/c12-7-6(5(17)1-4-2-18-3-19-4)8(13)10(15)11(16)9(7)14/h2-3,5H,1,17H2
InChIKeyRTKTTXBGLUOUEQ-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.08
Rot. Bonds3

About 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine

1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030337) has the molecular formula C11H7F5N2S and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030337
Molecular FormulaC11H7F5N2S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N2S/c12-7-6(5(17)1-4-2-18-3-19-4)8(13)10(15)11(16)9(7)14/h2-3,5H,1,17H2
InChIKeyRTKTTXBGLUOUEQ-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 112643460
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131042710
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105030569
[2-(1,3-thiazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208069
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105030337) is 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is RTKTTXBGLUOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2S/c12-7-6(5(17)1-4-2-18-3-19-4)8(13)10(15)11(16)9(7)14/h2-3,5H,1,17H2.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 294.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).