3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine

C8H13BrN2OS — CID 83693736

IUPAC3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCOCc1sc(CCCN)nc1Br
InChIInChI=1S/C8H13BrN2OS/c1-12-5-6-8(9)11-7(13-6)3-2-4-10/h2-5,10H2,1H3
InChIKeyYAFILHAIESWECK-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.94
Rot. Bonds5

About 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine

3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 83693736) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID83693736
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCOCc1sc(CCCN)nc1Br
InChIInChI=1S/C8H13BrN2OS/c1-12-5-6-8(9)11-7(13-6)3-2-4-10/h2-5,10H2,1H3
InChIKeyYAFILHAIESWECK-UHFFFAOYSA-N
XLogP1.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62923064
1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
CID 83693258
2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83824283
2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 83825855
3-(6-bromo-5-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107334
3-(6-bromo-4-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107152
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82441701
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
CID 82430363
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441080

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 83693736) is 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine is COCc1sc(CCCN)nc1Br.
What is the InChIKey of 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is YAFILHAIESWECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-12-5-6-8(9)11-7(13-6)3-2-4-10/h2-5,10H2,1H3.
What are the key properties of 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine?
3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 265.18 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 83693736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).