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

C13H15FN2OS — CID 166247477

IUPACN-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2csnc2OC)ccc1F
InChIInChI=1S/C13H15FN2OS/c1-3-15-7-10-6-9(4-5-12(10)14)11-8-18-16-13(11)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyUIFJUOXFOMIEAG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.07
Rot. Bonds5

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

N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 166247477) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine
PubChem CID166247477
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2csnc2OC)ccc1F
InChIInChI=1S/C13H15FN2OS/c1-3-15-7-10-6-9(4-5-12(10)14)11-8-18-16-13(11)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyUIFJUOXFOMIEAG-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine (CID 166247477) is N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine is CCNCc1cc(-c2csnc2OC)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is UIFJUOXFOMIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-3-15-7-10-6-9(4-5-12(10)14)11-8-18-16-13(11)17-2/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(3-methoxy-1,2-thiazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 166247477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).