1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C14H17BrN2S — CID 66478870

IUPAC1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccc(Br)c(C)c2)nc1C
InChIInChI=1S/C14H17BrN2S/c1-8-7-11(5-6-12(8)15)14-17-10(3)13(18-14)9(2)16-4/h5-7,9,16H,1-4H3
InChIKeyIEGXCEDSIJKARC-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.47
Rot. Bonds3

About 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 66478870) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID66478870
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2ccc(Br)c(C)c2)nc1C
InChIInChI=1S/C14H17BrN2S/c1-8-7-11(5-6-12(8)15)14-17-10(3)13(18-14)9(2)16-4/h5-7,9,16H,1-4H3
InChIKeyIEGXCEDSIJKARC-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287591
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61280133
N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61281898
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61286985
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 55118656
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289017

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 66478870) is 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(-c2ccc(Br)c(C)c2)nc1C.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is IEGXCEDSIJKARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-8-7-11(5-6-12(8)15)14-17-10(3)13(18-14)9(2)16-4/h5-7,9,16H,1-4H3.
What are the key properties of 1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 325.28 g/mol, XLogP of 4.47, 3 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-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 66478870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).