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

C14H17FN2OS — CID 107687047

IUPACN-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2nc(C)cs2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-3-16-7-11-4-5-13(12(15)6-11)18-8-14-17-10(2)9-19-14/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyUFKITKPPNSAZLO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds6

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

N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 107687047) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID107687047
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2nc(C)cs2)c(F)c1
InChIInChI=1S/C14H17FN2OS/c1-3-16-7-11-4-5-13(12(15)6-11)18-8-14-17-10(2)9-19-14/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyUFKITKPPNSAZLO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[4-[(3-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686976
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-[[4-[(3-chloro-4-pyridinyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686953
N-[[3-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107687100

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine (CID 107687047) is N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2nc(C)cs2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is UFKITKPPNSAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-16-7-11-4-5-13(12(15)6-11)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-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-4-[(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-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 107687047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).