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

C14H17FN2OS — CID 105015053

IUPACN-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H17FN2OS/c1-3-16-12(9-14-17-6-7-19-14)10-4-5-11(15)13(8-10)18-2/h4-8,12,16H,3,9H2,1-2H3
InChIKeyRXNAZKISQCKRAK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds6

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

N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015053) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015053
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H17FN2OS/c1-3-16-12(9-14-17-6-7-19-14)10-4-5-11(15)13(8-10)18-2/h4-8,12,16H,3,9H2,1-2H3
InChIKeyRXNAZKISQCKRAK-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015167
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
[1-(4-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105204168
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105015053) is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1ccc(F)c(OC)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is RXNAZKISQCKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-16-12(9-14-17-6-7-19-14)10-4-5-11(15)13(8-10)18-2/h4-8,12,16H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).