1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine

C11H10BrFN2S — CID 112643573

IUPAC1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN2S/c12-9-3-7(1-2-10(9)13)11(14)4-8-5-15-6-16-8/h1-3,5-6,11H,4,14H2
InChIKeyPGTVMYFLGRDMTG-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine

1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112643573) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112643573
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN2S/c12-9-3-7(1-2-10(9)13)11(14)4-8-5-15-6-16-8/h1-3,5-6,11H,4,14H2
InChIKeyPGTVMYFLGRDMTG-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

Analyze 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 107994960
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105030569
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 112643573) is 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is PGTVMYFLGRDMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c12-9-3-7(1-2-10(9)13)11(14)4-8-5-15-6-16-8/h1-3,5-6,11H,4,14H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-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-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112643573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).