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

C12H13BrN2O2S — CID 84608613

IUPAC[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(Br)c(CN)s2)c(OC)c1
InChIInChI=1S/C12H13BrN2O2S/c1-16-7-3-4-8(9(5-7)17-2)12-15-11(13)10(6-14)18-12/h3-5H,6,14H2,1-2H3
InChIKeyQEUKUHGNHXZKLZ-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.05
Rot. Bonds4

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

[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 84608613) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID84608613
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(Br)c(CN)s2)c(OC)c1
InChIInChI=1S/C12H13BrN2O2S/c1-16-7-3-4-8(9(5-7)17-2)12-15-11(13)10(6-14)18-12/h3-5H,6,14H2,1-2H3
InChIKeyQEUKUHGNHXZKLZ-UHFFFAOYSA-N
XLogP3.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine
CID 117258717
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
CID 134315655
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61352493
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine (CID 84608613) is [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine is COc1ccc(-c2nc(Br)c(CN)s2)c(OC)c1.
What is the InChIKey of [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QEUKUHGNHXZKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-16-7-3-4-8(9(5-7)17-2)12-15-11(13)10(6-14)18-12/h3-5H,6,14H2,1-2H3.
What are the key properties of [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 329.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 84608613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).