6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole

C15H14Br2N2S — CID 115335201

IUPAC6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESBrCC(Cc1ccc(Br)cc1)Cc1cn2ccsc2n1
InChIInChI=1S/C15H14Br2N2S/c16-9-12(7-11-1-3-13(17)4-2-11)8-14-10-19-5-6-20-15(19)18-14/h1-6,10,12H,7-9H2
InChIKeyIPCAHCKWAZUPIW-UHFFFAOYSA-N
MW414.17 g/mol
LogP4.95
Rot. Bonds5

About 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole

6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335201) has the molecular formula C15H14Br2N2S and a molecular weight of 414.17 g/mol. Its IUPAC name is 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335201
Molecular FormulaC15H14Br2N2S
Molecular Weight414.17 g/mol
Exact Mass411.92
IUPAC Name6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESBrCC(Cc1ccc(Br)cc1)Cc1cn2ccsc2n1
InChIInChI=1S/C15H14Br2N2S/c16-9-12(7-11-1-3-13(17)4-2-11)8-14-10-19-5-6-20-15(19)18-14/h1-6,10,12H,7-9H2
InChIKeyIPCAHCKWAZUPIW-UHFFFAOYSA-N
XLogP4.95
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.17
LogP ≤ 54.95
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

6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
[1-(4-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl]hydrazine
CID 105195463
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335167
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 113289485
1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 114906198
6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335168
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
CID 115334298
1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333678
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461

Frequently Asked Questions

What is the IUPAC name of 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole (CID 115335201) is 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole is BrCC(Cc1ccc(Br)cc1)Cc1cn2ccsc2n1.
What is the InChIKey of 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is IPCAHCKWAZUPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2S/c16-9-12(7-11-1-3-13(17)4-2-11)8-14-10-19-5-6-20-15(19)18-14/h1-6,10,12H,7-9H2.
What are the key properties of 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole?
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 414.17 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).