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

C14H17ClN2OS — CID 82191171

IUPACN-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H17ClN2OS/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
InChIKeyRQZCFUZTRNZPLK-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.53
Rot. Bonds7

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

N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82191171) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82191171
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H17ClN2OS/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
InChIKeyRQZCFUZTRNZPLK-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423990
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
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
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
CID 61282306
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115091633

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 82191171) is N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(CCOc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RQZCFUZTRNZPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/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-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.53, 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-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82191171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).