1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine

C14H17FN2OS — CID 107716311

IUPAC1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
SMILESCCc1nc(COc2ccc(C(C)N)c(F)c2)cs1
InChIInChI=1S/C14H17FN2OS/c1-3-14-17-10(8-19-14)7-18-11-4-5-12(9(2)16)13(15)6-11/h4-6,8-9H,3,7,16H2,1-2H3
InChIKeyKAZDZWBDRJFWTQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine

1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107716311) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107716311
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
SMILESCCc1nc(COc2ccc(C(C)N)c(F)c2)cs1
InChIInChI=1S/C14H17FN2OS/c1-3-14-17-10(8-19-14)7-18-11-4-5-12(9(2)16)13(15)6-11/h4-6,8-9H,3,7,16H2,1-2H3
InChIKeyKAZDZWBDRJFWTQ-UHFFFAOYSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718366
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716111
(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001873
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine (CID 107716311) is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine is CCc1nc(COc2ccc(C(C)N)c(F)c2)cs1.
What is the InChIKey of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is KAZDZWBDRJFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-14-17-10(8-19-14)7-18-11-4-5-12(9(2)16)13(15)6-11/h4-6,8-9H,3,7,16H2,1-2H3.
What are the key properties of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine?
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107716311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).