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

C10H9BrN2S — CID 83851616

IUPAC[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2
InChIKeyXMOUAWWTMRSKBR-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.03
Rot. Bonds2

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

[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 83851616) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID83851616
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2
InChIKeyXMOUAWWTMRSKBR-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53272842
5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole
CID 58910461
[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methanamine
CID 130541584
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 53272874
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272844
[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine
CID 123903301
2-(chloromethyl)-5-phenyl-1,3-thiazole
CID 46785018
ethyl 3-[5-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(phenylmethoxycarbonylamino)propanoate
CID 167356734
2-ethyl-5-pyridin-4-yl-1,3-thiazole
CID 89469223
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945
2-ethyl-5-(4-nitrophenyl)-1,3-thiazole
CID 58780787

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine (CID 83851616) is [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine is NCc1ncc(-c2ccc(Br)cc2)s1.
What is the InChIKey of [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is XMOUAWWTMRSKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2.
What are the key properties of [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine?
[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 269.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 83851616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).