1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C12H12BrFN2S — CID 114886949

IUPAC1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1c(F)cccc1Br
InChIInChI=1S/C12H12BrFN2S/c1-15-10(7-11-16-5-6-17-11)12-8(13)3-2-4-9(12)14/h2-6,10,15H,7H2,1H3
InChIKeyGHZOWTKDUVUKOS-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 114886949) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID114886949
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1c(F)cccc1Br
InChIInChI=1S/C12H12BrFN2S/c1-15-10(7-11-16-5-6-17-11)12-8(13)3-2-4-9(12)14/h2-6,10,15H,7H2,1H3
InChIKeyGHZOWTKDUVUKOS-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014897
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014961
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
[1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324603
1-(furan-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79825248
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
CID 114886897
N-methyl-1-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)ethanamine
CID 102923665
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169297
1-(2-bromo-6-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 114887116
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 114886949) is 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CNC(Cc1nccs1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is GHZOWTKDUVUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-15-10(7-11-16-5-6-17-11)12-8(13)3-2-4-9(12)14/h2-6,10,15H,7H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 315.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 114886949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).