2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine

C13H15BrN2OS — CID 84608173

IUPAC2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)c(Br)s2)cc1C
InChIInChI=1S/C13H15BrN2OS/c1-8-7-9(3-4-11(8)17-2)13-16-10(5-6-15)12(14)18-13/h3-4,7H,5-6,15H2,1-2H3
InChIKeyRKSZVCQKZOZVHO-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.39
Rot. Bonds4

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

2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 84608173) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID84608173
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccc(-c2nc(CCN)c(Br)s2)cc1C
InChIInChI=1S/C13H15BrN2OS/c1-8-7-9(3-4-11(8)17-2)13-16-10(5-6-15)12(14)18-13/h3-4,7H,5-6,15H2,1-2H3
InChIKeyRKSZVCQKZOZVHO-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 116868367
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82135501
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
[2-(4-methoxy-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887770
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 106951176
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 96669638
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
CID 84606373
2-(4-methoxy-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62132444

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine (CID 84608173) is 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine is COc1ccc(-c2nc(CCN)c(Br)s2)cc1C.
What is the InChIKey of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is RKSZVCQKZOZVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8-7-9(3-4-11(8)17-2)13-16-10(5-6-15)12(14)18-13/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine?
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 327.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 84608173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).