2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine

C12H14BrN3S — CID 105089102

IUPAC2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1snnc1C
InChIInChI=1S/C12H14BrN3S/c1-8-12(17-16-15-8)11(14-2)7-9-3-5-10(13)6-4-9/h3-6,11,14H,7H2,1-2H3
InChIKeyRDLJSWPLYOTHSF-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine

2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105089102) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105089102
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1snnc1C
InChIInChI=1S/C12H14BrN3S/c1-8-12(17-16-15-8)11(14-2)7-9-3-5-10(13)6-4-9/h3-6,11,14H,7H2,1-2H3
InChIKeyRDLJSWPLYOTHSF-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-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

N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
CID 105094073
[1-(4-methylthiadiazol-5-yl)-2-phenylethyl]hydrazine
CID 105283044
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177948
2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031172
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
[2-(5-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105294843
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105089102) is 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine is CNC(Cc1ccc(Br)cc1)c1snnc1C.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is RDLJSWPLYOTHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8-12(17-16-15-8)11(14-2)7-9-3-5-10(13)6-4-9/h3-6,11,14H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105089102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).