1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine

C11H10BrFN2S — CID 114894483

IUPAC1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nccs1)c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2S/c12-7-1-2-9(13)8(5-7)10(14)6-11-15-3-4-16-11/h1-5,10H,6,14H2
InChIKeyINLBQPXYVBHVPA-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.29
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine

1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 114894483) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID114894483
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nccs1)c1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2S/c12-7-1-2-9(13)8(5-7)10(14)6-11-15-3-4-16-11/h1-5,10H,6,14H2
InChIKeyINLBQPXYVBHVPA-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105014989
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015089
4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine
CID 114894593
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 130594678
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 105014893
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
[1-(5-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105280199
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 114894483) is 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine is NC(Cc1nccs1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is INLBQPXYVBHVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c12-7-1-2-9(13)8(5-7)10(14)6-11-15-3-4-16-11/h1-5,10H,6,14H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 301.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 114894483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).