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

C13H15FN2S — CID 79824851

IUPACN-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(Cc2nccs2)c1
InChIInChI=1S/C13H15FN2S/c1-2-15-9-10-3-4-12(14)11(7-10)8-13-16-5-6-17-13/h3-7,15H,2,8-9H2,1H3
InChIKeyDIQUIOWNTRQWMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.98
Rot. Bonds5

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

N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 79824851) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
PubChem CID79824851
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(Cc2nccs2)c1
InChIInChI=1S/C13H15FN2S/c1-2-15-9-10-3-4-12(14)11(7-10)8-13-16-5-6-17-13/h3-7,15H,2,8-9H2,1H3
InChIKeyDIQUIOWNTRQWMZ-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 79824734
1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79823518
[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824515
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
N-[[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813747
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 107456470
N-[[5-(1,3-thiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887614
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine (CID 79824851) is N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(Cc2nccs2)c1.
What is the InChIKey of N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is DIQUIOWNTRQWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-15-9-10-3-4-12(14)11(7-10)8-13-16-5-6-17-13/h3-7,15H,2,8-9H2,1H3.
What are the key properties of N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79824851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).