5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole

C8H9BrN2S — CID 67369478

IUPAC5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CCBr
InChIInChI=1S/C8H9BrN2S/c1-6-7(2-3-9)11-4-5-12-8(11)10-6/h4-5H,2-3H2,1H3
InChIKeyYHOWOBMJMIURSP-UHFFFAOYSA-N
MW245.14 g/mol
LogP2.64
Rot. Bonds2

About 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole

5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 67369478) has the molecular formula C8H9BrN2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID67369478
Molecular FormulaC8H9BrN2S
Molecular Weight245.14 g/mol
Exact Mass243.97
IUPAC Name5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CCBr
InChIInChI=1S/C8H9BrN2S/c1-6-7(2-3-9)11-4-5-12-8(11)10-6/h4-5H,2-3H2,1H3
InChIKeyYHOWOBMJMIURSP-UHFFFAOYSA-N
XLogP2.64
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-2-amine
CID 115621649
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 60781391
4-bromo-3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107572015
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
N-(2-methoxyethoxy)-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82715198
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
4-bromo-2,6-difluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467947
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole (CID 67369478) is 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1CCBr.
What is the InChIKey of 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is YHOWOBMJMIURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c1-6-7(2-3-9)11-4-5-12-8(11)10-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 245.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 67369478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).