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

C12H12BrFN2S — CID 81440491

IUPAC1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(Br)c(F)c2)sc1C(C)N
InChIInChI=1S/C12H12BrFN2S/c1-6(15)11-7(2)16-12(17-11)8-3-4-9(13)10(14)5-8/h3-6H,15H2,1-2H3
InChIKeyZURHLJAEQOJJNF-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.04
Rot. Bonds2

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

1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 81440491) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID81440491
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(Br)c(F)c2)sc1C(C)N
InChIInChI=1S/C12H12BrFN2S/c1-6(15)11-7(2)16-12(17-11)8-3-4-9(13)10(14)5-8/h3-6H,15H2,1-2H3
InChIKeyZURHLJAEQOJJNF-UHFFFAOYSA-N
XLogP4.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-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

(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
5-Bromomethyl-4-methyl-2-phenyl-thiazole
CID 2795493
2-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 54595017
N,4-Dimethyl-2-phenyl-5-thiazolemethanamine
CID 4961253
1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]ethan-1-amine
CID 4003387
1-[4-Methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 24252980
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine
CID 50987518
Methyl({1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl})amine
CID 53534951
1-[2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 53534952
Methyl[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amine
CID 61287612
5-Aminomethyl-2-p-tolyl-4-trifluoromethylthiazole
CID 14667162

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 81440491) is 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccc(Br)c(F)c2)sc1C(C)N.
What is the InChIKey of 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZURHLJAEQOJJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-6(15)11-7(2)16-12(17-11)8-3-4-9(13)10(14)5-8/h3-6H,15H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 315.21 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 81440491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).