1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

C14H17FN2OS — CID 43728746

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCOc1ccc(F)cc1C(C)NCc1csc(C)n1
InChIInChI=1S/C14H17FN2OS/c1-9(16-7-12-8-19-10(2)17-12)13-6-11(15)4-5-14(13)18-3/h4-6,8-9,16H,7H2,1-3H3
InChIKeyQNGYLPWXBLBWTF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine

1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 43728746) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID43728746
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCOc1ccc(F)cc1C(C)NCc1csc(C)n1
InChIInChI=1S/C14H17FN2OS/c1-9(16-7-12-8-19-10(2)17-12)13-6-11(15)4-5-14(13)18-3/h4-6,8-9,16H,7H2,1-3H3
InChIKeyQNGYLPWXBLBWTF-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 43728746) is 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is COc1ccc(F)cc1C(C)NCc1csc(C)n1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is QNGYLPWXBLBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9(16-7-12-8-19-10(2)17-12)13-6-11(15)4-5-14(13)18-3/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43728746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).