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

C12H13BrN2OS — CID 82135501

IUPAC[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)sc2Br)cc1C
InChIInChI=1S/C12H13BrN2OS/c1-7-5-8(3-4-9(7)16-2)11-12(13)17-10(6-14)15-11/h3-5H,6,14H2,1-2H3
InChIKeyYCULXGXFXXAFOH-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.35
Rot. Bonds3

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

[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82135501) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID82135501
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)sc2Br)cc1C
InChIInChI=1S/C12H13BrN2OS/c1-7-5-8(3-4-9(7)16-2)11-12(13)17-10(6-14)15-11/h3-5H,6,14H2,1-2H3
InChIKeyYCULXGXFXXAFOH-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
CID 83850499
2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 96669115
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 96669638
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine (CID 82135501) is [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine is COc1ccc(-c2nc(CN)sc2Br)cc1C.
What is the InChIKey of [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is YCULXGXFXXAFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-7-5-8(3-4-9(7)16-2)11-12(13)17-10(6-14)15-11/h3-5H,6,14H2,1-2H3.
What are the key properties of [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 313.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82135501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).