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

C13H15FN2OS — CID 113348876

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nccs2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c1-9(13-15-5-6-18-13)16-8-10-3-4-11(17-2)7-12(10)14/h3-7,9,16H,8H2,1-2H3
InChIKeyKPZLWFSJLQWJKQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.14
Rot. Bonds5

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

N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 113348876) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID113348876
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nccs2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c1-9(13-15-5-6-18-13)16-8-10-3-4-11(17-2)7-12(10)14/h3-7,9,16H,8H2,1-2H3
InChIKeyKPZLWFSJLQWJKQ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584918
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893765
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
5-fluoro-N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77045189
2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63597926
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 113348876) is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is COc1ccc(CNC(C)c2nccs2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is KPZLWFSJLQWJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-9(13-15-5-6-18-13)16-8-10-3-4-11(17-2)7-12(10)14/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 113348876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).