4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine

C12H16BrN3OS — CID 107080327

IUPAC4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine
SMILESCCC1CN(c2nc3sccn3c2CBr)CCO1
InChIInChI=1S/C12H16BrN3OS/c1-2-9-8-15(3-5-17-9)11-10(7-13)16-4-6-18-12(16)14-11/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyGLZZGAOUVLZRES-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.91
Rot. Bonds3

About 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine

4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine (PubChem CID 107080327) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine
PubChem CID107080327
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC Name4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine
SMILESCCC1CN(c2nc3sccn3c2CBr)CCO1
InChIInChI=1S/C12H16BrN3OS/c1-2-9-8-15(3-5-17-9)11-10(7-13)16-4-6-18-12(16)14-11/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyGLZZGAOUVLZRES-UHFFFAOYSA-N
XLogP2.91
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethyl-1,4-oxazepane
CID 114218572
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methyl-1,4-oxazepane
CID 62972339
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
CID 107080490
4-(2-ethylmorpholin-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325050
5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 62131580
[6-(4-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61421693
5-(chloromethyl)-6-(3,4-dimethoxypyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 103535533
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762

Frequently Asked Questions

What is the IUPAC name of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine?
The IUPAC name of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine (CID 107080327) is 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine.
What is the SMILES notation for 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine?
The canonical SMILES for 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine is CCC1CN(c2nc3sccn3c2CBr)CCO1.
What is the InChIKey of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine?
The InChIKey is GLZZGAOUVLZRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c1-2-9-8-15(3-5-17-9)11-10(7-13)16-4-6-18-12(16)14-11/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine?
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine has a molecular weight of 330.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine is sourced from PubChem (CID 107080327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).