1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine

C12H13BrN2S — CID 105014989

IUPAC1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1cc(Br)ccc1C(N)Cc1nccs1
InChIInChI=1S/C12H13BrN2S/c1-8-6-9(13)2-3-10(8)11(14)7-12-15-4-5-16-12/h2-6,11H,7,14H2,1H3
InChIKeyCHNNDRUGRNIGRV-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine

1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105014989) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105014989
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1cc(Br)ccc1C(N)Cc1nccs1
InChIInChI=1S/C12H13BrN2S/c1-8-6-9(13)2-3-10(8)11(14)7-12-15-4-5-16-12/h2-6,11H,7,14H2,1H3
InChIKeyCHNNDRUGRNIGRV-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 114894483
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015089
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 105014893
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326521
ethyl 3-amino-3-(4-bromo-2-methylphenyl)propanoate
CID 4311402
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
CID 105028683
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015145
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105014989) is 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is Cc1cc(Br)ccc1C(N)Cc1nccs1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is CHNNDRUGRNIGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-6-9(13)2-3-10(8)11(14)7-12-15-4-5-16-12/h2-6,11H,7,14H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105014989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).