5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole

C12H16BrN3OS — CID 107084069

IUPAC5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
SMILESCOCC1CCN(c2nc3sccn3c2CBr)C1
InChIInChI=1S/C12H16BrN3OS/c1-17-8-9-2-3-15(7-9)11-10(6-13)16-4-5-18-12(16)14-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyOEZIAMIRDKFYTF-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.76
Rot. Bonds4

About 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole

5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 107084069) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID107084069
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC Name5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
SMILESCOCC1CCN(c2nc3sccn3c2CBr)C1
InChIInChI=1S/C12H16BrN3OS/c1-17-8-9-2-3-15(7-9)11-10(6-13)16-4-5-18-12(16)14-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyOEZIAMIRDKFYTF-UHFFFAOYSA-N
XLogP2.76
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.76
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

1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine
CID 107080327
5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 102965868
2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798563
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethyl-1,4-oxazepane
CID 114218572
[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)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
CID 107080490
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798675
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole (CID 107084069) is 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole is COCC1CCN(c2nc3sccn3c2CBr)C1.
What is the InChIKey of 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is OEZIAMIRDKFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c1-17-8-9-2-3-15(7-9)11-10(6-13)16-4-5-18-12(16)14-11/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 330.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107084069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).