N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine

C14H17FN2OS — CID 82191156

IUPACN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H17FN2OS/c1-2-16-9-13-10-17-14(19-13)7-8-18-12-5-3-11(15)4-6-12/h3-6,10,16H,2,7-9H2,1H3
InChIKeyZWSSLHZFLLUBRF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.01
Rot. Bonds7

About N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82191156) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82191156
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H17FN2OS/c1-2-16-9-13-10-17-14(19-13)7-8-18-12-5-3-11(15)4-6-12/h3-6,10,16H,2,7-9H2,1H3
InChIKeyZWSSLHZFLLUBRF-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423990
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423033
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82424083
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111532456
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
CID 61282306

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 82191156) is N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(CCOc2ccc(F)cc2)s1.
What is the InChIKey of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ZWSSLHZFLLUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-16-9-13-10-17-14(19-13)7-8-18-12-5-3-11(15)4-6-12/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82191156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).