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

C13H15ClN2OS — CID 82190967

IUPACN-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(COc2ccccc2Cl)s1
InChIInChI=1S/C13H15ClN2OS/c1-2-15-7-10-8-16-13(18-10)9-17-12-6-4-3-5-11(12)14/h3-6,8,15H,2,7,9H2,1H3
InChIKeyVZYDOJPZVUAZFZ-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.48
Rot. Bonds6

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

N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82190967) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82190967
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC NameN-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(COc2ccccc2Cl)s1
InChIInChI=1S/C13H15ClN2OS/c1-2-15-7-10-8-16-13(18-10)9-17-12-6-4-3-5-11(12)14/h3-6,8,15H,2,7,9H2,1H3
InChIKeyVZYDOJPZVUAZFZ-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422739
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
1-[2-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82190991
N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558332
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422743
N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282498
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190879

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 82190967) is N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(COc2ccccc2Cl)s1.
What is the InChIKey of N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is VZYDOJPZVUAZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-15-7-10-8-16-13(18-10)9-17-12-6-4-3-5-11(12)14/h3-6,8,15H,2,7,9H2,1H3.
What are the key properties of N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82190967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).