5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole

C11H13BrN2S — CID 79322992

IUPAC5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole
SMILESCC(=Cc1c(C)nc2scc(C)n12)CBr
InChIInChI=1S/C11H13BrN2S/c1-7(5-12)4-10-9(3)13-11-14(10)8(2)6-15-11/h4,6H,5H2,1-3H3
InChIKeySQIJCQYEQDNLOS-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.81
Rot. Bonds2

About 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole

5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole (PubChem CID 79322992) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole
PubChem CID79322992
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole
SMILESCC(=Cc1c(C)nc2scc(C)n12)CBr
InChIInChI=1S/C11H13BrN2S/c1-7(5-12)4-10-9(3)13-11-14(10)8(2)6-15-11/h4,6H,5H2,1-3H3
InChIKeySQIJCQYEQDNLOS-UHFFFAOYSA-N
XLogP3.81
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.81
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-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine
CID 79323524
3,6-dimethyl-5-[(E)-2-nitrobut-1-enyl]imidazo[2,1-b][1,3]thiazole
CID 55016268
3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 76997232
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339819
methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
CID 9075334
3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine
CID 79347472
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-oxoacetic acid
CID 96604955
4-[(2Z)-2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
CID 9012968
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
CID 77040071
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
CID 9175406

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole (CID 79322992) is 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole is CC(=Cc1c(C)nc2scc(C)n12)CBr.
What is the InChIKey of 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
The InChIKey is SQIJCQYEQDNLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-7(5-12)4-10-9(3)13-11-14(10)8(2)6-15-11/h4,6H,5H2,1-3H3.
What are the key properties of 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole has a molecular weight of 285.21 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-methylprop-1-enyl)-3,6-dimethylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 79322992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).