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

C15H19FN2OS — CID 43786854

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)c2scnc2C)cc1F
InChIInChI=1S/C15H19FN2OS/c1-9(12-5-6-14(19-4)13(16)7-12)18-11(3)15-10(2)17-8-20-15/h5-9,11,18H,1-4H3
InChIKeyHZAQKQNYAXIJMB-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.01
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 43786854) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID43786854
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)c2scnc2C)cc1F
InChIInChI=1S/C15H19FN2OS/c1-9(12-5-6-14(19-4)13(16)7-12)18-11(3)15-10(2)17-8-20-15/h5-9,11,18H,1-4H3
InChIKeyHZAQKQNYAXIJMB-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 43786854) is 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is COc1ccc(C(C)NC(C)c2scnc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is HZAQKQNYAXIJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-9(12-5-6-14(19-4)13(16)7-12)18-11(3)15-10(2)17-8-20-15/h5-9,11,18H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 294.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 43786854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).