5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

C14H17BrN2O2S — CID 83140243

IUPAC5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2c(Br)cccc2OC)s1
InChIInChI=1S/C14H17BrN2O2S/c1-3-7-16-14-17-8-10(20-14)9-19-13-11(15)5-4-6-12(13)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyNGEQYEJIOAUVPV-UHFFFAOYSA-N
MW357.27 g/mol
LogP4.32
Rot. Bonds7

About 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 83140243) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID83140243
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2c(Br)cccc2OC)s1
InChIInChI=1S/C14H17BrN2O2S/c1-3-7-16-14-17-8-10(20-14)9-19-13-11(15)5-4-6-12(13)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyNGEQYEJIOAUVPV-UHFFFAOYSA-N
XLogP4.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765829
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 83140243) is 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2c(Br)cccc2OC)s1.
What is the InChIKey of 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is NGEQYEJIOAUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-3-7-16-14-17-8-10(20-14)9-19-13-11(15)5-4-6-12(13)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 357.27 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-6-methoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83140243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).