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

C13H14BrFN2S — CID 107953462

IUPAC1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2cccc(Br)c2F)sc1C
InChIInChI=1S/C13H14BrFN2S/c1-7-8(2)18-12(17-7)6-11(16)9-4-3-5-10(14)13(9)15/h3-5,11H,6,16H2,1-2H3
InChIKeyAXKJADHWNWFQAB-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.90
Rot. Bonds3

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

1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 107953462) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID107953462
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2cccc(Br)c2F)sc1C
InChIInChI=1S/C13H14BrFN2S/c1-7-8(2)18-12(17-7)6-11(16)9-4-3-5-10(14)13(9)15/h3-5,11H,6,16H2,1-2H3
InChIKeyAXKJADHWNWFQAB-UHFFFAOYSA-N
XLogP3.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-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-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
CID 107953264
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 105019585
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019688
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (CID 107953462) is 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is Cc1nc(CC(N)c2cccc(Br)c2F)sc1C.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is AXKJADHWNWFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-7-8(2)18-12(17-7)6-11(16)9-4-3-5-10(14)13(9)15/h3-5,11H,6,16H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 329.24 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107953462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).