6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole

C16H17ClN2OS — CID 115335167

IUPAC6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(CC(CCl)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H17ClN2OS/c1-20-15-4-2-12(3-5-15)8-13(10-17)9-14-11-19-6-7-21-16(19)18-14/h2-7,11,13H,8-10H2,1H3
InChIKeyDXQMVJGJTIYRHM-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.04
Rot. Bonds6

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

6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335167) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335167
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(CC(CCl)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H17ClN2OS/c1-20-15-4-2-12(3-5-15)8-13(10-17)9-14-11-19-6-7-21-16(19)18-14/h2-7,11,13H,8-10H2,1H3
InChIKeyDXQMVJGJTIYRHM-UHFFFAOYSA-N
XLogP4.04
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335168
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
CID 134027741
[1-(4-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl]hydrazine
CID 105195463
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271623
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817022
N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 31448979
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866

Frequently Asked Questions

What is the IUPAC name of 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole (CID 115335167) is 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole is COc1ccc(CC(CCl)Cc2cn3ccsc3n2)cc1.
What is the InChIKey of 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is DXQMVJGJTIYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-20-15-4-2-12(3-5-15)8-13(10-17)9-14-11-19-6-7-21-16(19)18-14/h2-7,11,13H,8-10H2,1H3.
What are the key properties of 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole?
6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 320.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(chloromethyl)-3-(4-methoxyphenyl)propyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).