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

C14H17FN2OS — CID 107695622

IUPACN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1nc(C)cs1
InChIInChI=1S/C14H17FN2OS/c1-3-16-7-11-6-12(15)4-5-13(11)18-8-14-17-10(2)9-19-14/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyIDKHGJQIPPZHDA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds6

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

N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 107695622) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID107695622
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCc1nc(C)cs1
InChIInChI=1S/C14H17FN2OS/c1-3-16-7-11-6-12(15)4-5-13(11)18-8-14-17-10(2)9-19-14/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyIDKHGJQIPPZHDA-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-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407
N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107687047
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728
N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695600
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
N-[[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961178
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
2-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-tert-butyl-1,3-thiazole
CID 107699041

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine (CID 107695622) is N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OCc1nc(C)cs1.
What is the InChIKey of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is IDKHGJQIPPZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-16-7-11-6-12(15)4-5-13(11)18-8-14-17-10(2)9-19-14/h4-6,9,16H,3,7-8H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]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-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107695622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).