1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C15H19FN2OS — CID 104792050

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2cccc(OC)c2F)s1
InChIInChI=1S/C15H19FN2OS/c1-4-12-9-18-15(20-12)10(2)17-8-11-6-5-7-13(19-3)14(11)16/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyGPJAQSMVXDUPGI-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.70
Rot. Bonds6

About 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 104792050) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID104792050
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2cccc(OC)c2F)s1
InChIInChI=1S/C15H19FN2OS/c1-4-12-9-18-15(20-12)10(2)17-8-11-6-5-7-13(19-3)14(11)16/h5-7,9-10,17H,4,8H2,1-3H3
InChIKeyGPJAQSMVXDUPGI-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 112640133
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 115726774
1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791622
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115679734
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115697598
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 115679748
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 104792050) is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is CCc1cnc(C(C)NCc2cccc(OC)c2F)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is GPJAQSMVXDUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-4-12-9-18-15(20-12)10(2)17-8-11-6-5-7-13(19-3)14(11)16/h5-7,9-10,17H,4,8H2,1-3H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104792050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).