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

C6H5ClN2S — CID 18804066

IUPAC6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
SMILESClCc1cn2ccsc2n1
InChIInChI=1S/C6H5ClN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2
InChIKeyARUYSNCZGGNUCN-UHFFFAOYSA-N
MW172.64 g/mol
LogP2.13
Rot. Bonds1

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

6-(chloromethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 18804066) has the molecular formula C6H5ClN2S and a molecular weight of 172.64 g/mol. Its IUPAC name is 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID18804066
Molecular FormulaC6H5ClN2S
Molecular Weight172.64 g/mol
Exact Mass171.99
IUPAC Name6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
SMILESClCc1cn2ccsc2n1
InChIInChI=1S/C6H5ClN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2
InChIKeyARUYSNCZGGNUCN-UHFFFAOYSA-N
XLogP2.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.64
LogP ≤ 52.13
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-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
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)-2-methylpropan-1-amine
CID 115331414

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole (CID 18804066) is 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole is ClCc1cn2ccsc2n1.
What is the InChIKey of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is ARUYSNCZGGNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2.
What are the key properties of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole?
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 172.64 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 18804066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).