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

C14H17FN2OS — CID 107661200

IUPACN-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COc2cccc(C)c2F)cs1
InChIInChI=1S/C14H17FN2OS/c1-3-16-7-13-17-11(9-19-13)8-18-12-6-4-5-10(2)14(12)15/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyQYXGFSXRJYNSLZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds6

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

N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 107661200) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID107661200
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COc2cccc(C)c2F)cs1
InChIInChI=1S/C14H17FN2OS/c1-3-16-7-13-17-11(9-19-13)8-18-12-6-4-5-10(2)14(12)15/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyQYXGFSXRJYNSLZ-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62459083
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 107660672
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 107661200) is N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(COc2cccc(C)c2F)cs1.
What is the InChIKey of N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is QYXGFSXRJYNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-16-7-13-17-11(9-19-13)8-18-12-6-4-5-10(2)14(12)15/h4-6,9,16H,3,7-8H2,1-2H3.
What are the key properties of N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 107661200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).