N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine

C13H15FN2S — CID 79824465

IUPACN-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c1-2-15-12(9-13-16-7-8-17-13)10-3-5-11(14)6-4-10/h3-8,12,15H,2,9H2,1H3
InChIKeyGWQNAFKYJGJXMI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.18
Rot. Bonds5

About N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79824465) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID79824465
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c1-2-15-12(9-13-16-7-8-17-13)10-3-5-11(14)6-4-10/h3-8,12,15H,2,9H2,1H3
InChIKeyGWQNAFKYJGJXMI-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015167
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169186
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 79824465) is N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is GWQNAFKYJGJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-15-12(9-13-16-7-8-17-13)10-3-5-11(14)6-4-10/h3-8,12,15H,2,9H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79824465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).