2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine

C9H15BrN2S — CID 83825855

IUPAC2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)Cc1nc(Br)c(CCN)s1
InChIInChI=1S/C9H15BrN2S/c1-6(2)5-8-12-9(10)7(13-8)3-4-11/h6H,3-5,11H2,1-2H3
InChIKeyJTDSIXKHWYJDAU-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine

2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 83825855) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID83825855
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)Cc1nc(Br)c(CCN)s1
InChIInChI=1S/C9H15BrN2S/c1-6(2)5-8-12-9(10)7(13-8)3-4-11/h6H,3-5,11H2,1-2H3
InChIKeyJTDSIXKHWYJDAU-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83824283
1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
CID 83693661
2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82406035
5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 115059841
3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 83693736
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82406037
[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434602
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine (CID 83825855) is 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine is CC(C)Cc1nc(Br)c(CCN)s1.
What is the InChIKey of 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JTDSIXKHWYJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-6(2)5-8-12-9(10)7(13-8)3-4-11/h6H,3-5,11H2,1-2H3.
What are the key properties of 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 263.20 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 83825855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).