1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C13H15BrN2OS — CID 61280524

IUPAC1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)c(C(C)N)s2)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-7(15)12-8(2)16-13(18-12)9-4-5-11(17-3)10(14)6-9/h4-7H,15H2,1-3H3
InChIKeyWEKYEZAHJQEKQX-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.91
Rot. Bonds3

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

1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 61280524) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID61280524
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(C)c(C(C)N)s2)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-7(15)12-8(2)16-13(18-12)9-4-5-11(17-3)10(14)6-9/h4-7H,15H2,1-3H3
InChIKeyWEKYEZAHJQEKQX-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
1-[2-(3,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61287396
1-[2-(7-bromo-1,3-benzodioxol-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61283062
1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 114938151
1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106951184
1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884493
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
1-[2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280126
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 61280524) is 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COc1ccc(-c2nc(C)c(C(C)N)s2)cc1Br.
What is the InChIKey of 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WEKYEZAHJQEKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-7(15)12-8(2)16-13(18-12)9-4-5-11(17-3)10(14)6-9/h4-7H,15H2,1-3H3.
What are the key properties of 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 327.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61280524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).