2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

C13H15BrN2S — CID 114031172

IUPAC2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cnc(C)s1
InChIInChI=1S/C13H15BrN2S/c1-9-16-8-13(17-9)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,8,12,15H,7H2,1-2H3
InChIKeyMHMVESLGLMGNTQ-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114031172) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114031172
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cnc(C)s1
InChIInChI=1S/C13H15BrN2S/c1-9-16-8-13(17-9)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,8,12,15H,7H2,1-2H3
InChIKeyMHMVESLGLMGNTQ-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 106274076
2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105089102
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143696
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031628

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 114031172) is 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is CNC(Cc1ccc(Br)cc1)c1cnc(C)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is MHMVESLGLMGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-16-8-13(17-9)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,8,12,15H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114031172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).