6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole

C12H17ClN2S — CID 115335151

IUPAC6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC(CC)(CCl)Cc1cn2ccsc2n1
InChIInChI=1S/C12H17ClN2S/c1-3-12(4-2,9-13)7-10-8-15-5-6-16-11(15)14-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyOYUDYNPZXWCVLJ-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.98
Rot. Bonds5

About 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole

6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335151) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335151
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC(CC)(CCl)Cc1cn2ccsc2n1
InChIInChI=1S/C12H17ClN2S/c1-3-12(4-2,9-13)7-10-8-15-5-6-16-11(15)14-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyOYUDYNPZXWCVLJ-UHFFFAOYSA-N
XLogP3.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.98
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-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine
CID 115334306
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
CID 112571066
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-(methoxymethyl)butan-2-ol
CID 115332886
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 115335237
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylbutanoic acid
CID 115332527
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
2-(4-ethylphenyl)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333010
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386

Frequently Asked Questions

What is the IUPAC name of 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole (CID 115335151) is 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole is CCC(CC)(CCl)Cc1cn2ccsc2n1.
What is the InChIKey of 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is OYUDYNPZXWCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-3-12(4-2,9-13)7-10-8-15-5-6-16-11(15)14-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole?
6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 256.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).