1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine

C12H13BrN2S — CID 62830366

IUPAC1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(Cc2ccccc2Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8(14)11-7-15-12(16-11)6-9-4-2-3-5-10(9)13/h2-5,7-8H,6,14H2,1H3
InChIKeyNQKJSYUASMIAEL-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.52
Rot. Bonds3

About 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine

1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 62830366) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID62830366
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(Cc2ccccc2Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8(14)11-7-15-12(16-11)6-9-4-2-3-5-10(9)13/h2-5,7-8H,6,14H2,1H3
InChIKeyNQKJSYUASMIAEL-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
CID 115091505
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115506319
2-[(2-bromophenyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 82490108
1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 130949962
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
CID 66056314
1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693439
1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
CID 62653547
1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653171
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 62830366) is 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(Cc2ccccc2Br)s1.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is NQKJSYUASMIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8(14)11-7-15-12(16-11)6-9-4-2-3-5-10(9)13/h2-5,7-8H,6,14H2,1H3.
What are the key properties of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62830366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).