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

C16H17BrN2S — CID 115335208

IUPAC6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccccc1CC(CBr)Cc1cn2ccsc2n1
InChIInChI=1S/C16H17BrN2S/c1-12-4-2-3-5-14(12)8-13(10-17)9-15-11-19-6-7-20-16(19)18-15/h2-7,11,13H,8-10H2,1H3
InChIKeySNSKFVFDWFPYDS-UHFFFAOYSA-N
MW349.30 g/mol
LogP4.50
Rot. Bonds5

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

6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335208) has the molecular formula C16H17BrN2S and a molecular weight of 349.30 g/mol. Its IUPAC name is 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335208
Molecular FormulaC16H17BrN2S
Molecular Weight349.30 g/mol
Exact Mass348.03
IUPAC Name6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccccc1CC(CBr)Cc1cn2ccsc2n1
InChIInChI=1S/C16H17BrN2S/c1-12-4-2-3-5-14(12)8-13(10-17)9-15-11-19-6-7-20-16(19)18-15/h2-7,11,13H,8-10H2,1H3
InChIKeySNSKFVFDWFPYDS-UHFFFAOYSA-N
XLogP4.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 54.50
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
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
CID 115334298
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
2-[(2-fluorophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334246
3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
CID 115332537
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
1-(2-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 115333611
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
1-ethyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111358950

Frequently Asked Questions

What is the IUPAC name of 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole (CID 115335208) is 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole is Cc1ccccc1CC(CBr)Cc1cn2ccsc2n1.
What is the InChIKey of 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is SNSKFVFDWFPYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2S/c1-12-4-2-3-5-14(12)8-13(10-17)9-15-11-19-6-7-20-16(19)18-15/h2-7,11,13H,8-10H2,1H3.
What are the key properties of 6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 349.30 g/mol, XLogP of 4.50, 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-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).