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

C6H6Cl2N2S — CID 76851866

IUPAC6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.ClCc1cn2ccsc2n1
InChIInChI=1S/C6H5ClN2S.ClH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H
InChIKeyHZBWWRDELZYWOB-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.56
Rot. Bonds1

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

6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 76851866) has the molecular formula C6H6Cl2N2S and a molecular weight of 209.10 g/mol. Its IUPAC name is 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID76851866
Molecular FormulaC6H6Cl2N2S
Molecular Weight209.10 g/mol
Exact Mass207.96
IUPAC Name6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.ClCc1cn2ccsc2n1
InChIInChI=1S/C6H5ClN2S.ClH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H
InChIKeyHZBWWRDELZYWOB-UHFFFAOYSA-N
XLogP2.56
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
CID 115335151
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 83187591
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine
CID 102861387
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
CID 112571066
6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
CID 115334174
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride (CID 76851866) is 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.ClCc1cn2ccsc2n1.
What is the InChIKey of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is HZBWWRDELZYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2S.ClH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H.
What are the key properties of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 209.10 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 76851866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).