1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C13H15BrN2S — CID 105014961

IUPAC1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2S/c1-9-3-4-11(14)10(7-9)12(15-2)8-13-16-5-6-17-13/h3-7,12,15H,8H2,1-2H3
InChIKeyZTHBGQDYTZSYDL-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.72
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105014961) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105014961
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2S/c1-9-3-4-11(14)10(7-9)12(15-2)8-13-16-5-6-17-13/h3-7,12,15H,8H2,1-2H3
InChIKeyZTHBGQDYTZSYDL-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169297
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81110287
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014897
1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 114886949
N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 105014961) is 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CNC(Cc1nccs1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZTHBGQDYTZSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-3-4-11(14)10(7-9)12(15-2)8-13-16-5-6-17-13/h3-7,12,15H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105014961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).