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

C14H17BrN2S — CID 55118656

IUPAC1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(Cc2ccccc2Br)nc1C
InChIInChI=1S/C14H17BrN2S/c1-9(16-3)14-10(2)17-13(18-14)8-11-6-4-5-7-12(11)15/h4-7,9,16H,8H2,1-3H3
InChIKeyRIYKQJYXFWOLGD-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.09
Rot. Bonds4

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

1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 55118656) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID55118656
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(Cc2ccccc2Br)nc1C
InChIInChI=1S/C14H17BrN2S/c1-9(16-3)14-10(2)17-13(18-14)8-11-6-4-5-7-12(11)15/h4-7,9,16H,8H2,1-3H3
InChIKeyRIYKQJYXFWOLGD-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62830555
N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62551593
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693429
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287610
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 66478870
2-[(2-bromophenyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 82490108
[2-[(2-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362094
1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115346935
2-[(2-bromophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422776

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 55118656) is 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(Cc2ccccc2Br)nc1C.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is RIYKQJYXFWOLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-9(16-3)14-10(2)17-13(18-14)8-11-6-4-5-7-12(11)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 325.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 55118656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).