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

C13H15BrN2S — CID 5137111

IUPAC1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2cc(C)ccc2Br)cs1
InChIInChI=1S/C13H15BrN2S/c1-8-4-5-11(14)10(6-8)12-7-17-13(16-12)9(2)15-3/h4-7,9,15H,1-3H3
InChIKeyHUKNCTHFDGOTNL-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.16
Rot. Bonds3

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

1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 5137111) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID5137111
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2cc(C)ccc2Br)cs1
InChIInChI=1S/C13H15BrN2S/c1-8-4-5-11(14)10(6-8)12-7-17-13(16-12)9(2)15-3/h4-7,9,15H,1-3H3
InChIKeyHUKNCTHFDGOTNL-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856
1-[4-(4-bromo-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3906583
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3644420
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
1-[4-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3334152
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3647690
1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 130951838
3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965045

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 5137111) is 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(-c2cc(C)ccc2Br)cs1.
What is the InChIKey of 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is HUKNCTHFDGOTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-4-5-11(14)10(6-8)12-7-17-13(16-12)9(2)15-3/h4-7,9,15H,1-3H3.
What are the key properties of 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 5137111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).