1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

C13H14BrClN2S — CID 103816338

IUPAC1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C13H14BrClN2S/c1-2-11-7-17-13(18-11)8-16-6-9-3-4-10(15)5-12(9)14/h3-5,7,16H,2,6,8H2,1H3
InChIKeyRQBJPHUVMZTFQZ-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 103816338) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID103816338
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C13H14BrClN2S/c1-2-11-7-17-13(18-11)8-16-6-9-3-4-10(15)5-12(9)14/h3-5,7,16H,2,6,8H2,1H3
InChIKeyRQBJPHUVMZTFQZ-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine (CID 103816338) is 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2ccc(Cl)cc2Br)s1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is RQBJPHUVMZTFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-2-11-7-17-13(18-11)8-16-6-9-3-4-10(15)5-12(9)14/h3-5,7,16H,2,6,8H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 345.69 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103816338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).