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

C7H8Cl2N2S — CID 71779139

IUPAC5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCc1nc2sccn2c1CCl.Cl
InChIInChI=1S/C7H7ClN2S.ClH/c1-5-6(4-8)10-2-3-11-7(10)9-5;/h2-3H,4H2,1H3;1H
InChIKeyMGHOQEXHWIYGDN-UHFFFAOYSA-N
MW223.13 g/mol
LogP2.86
Rot. Bonds1

About 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride

5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 71779139) has the molecular formula C7H8Cl2N2S and a molecular weight of 223.13 g/mol. Its IUPAC name is 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID71779139
Molecular FormulaC7H8Cl2N2S
Molecular Weight223.13 g/mol
Exact Mass221.98
IUPAC Name5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCc1nc2sccn2c1CCl.Cl
InChIInChI=1S/C7H7ClN2S.ClH/c1-5-6(4-8)10-2-3-11-7(10)9-5;/h2-3H,4H2,1H3;1H
InChIKeyMGHOQEXHWIYGDN-UHFFFAOYSA-N
XLogP2.86
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 52.86
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

5-Bromo-6-methylimidazo(2,1-b)(1,3)thiazole
CID 700760
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 333028
6-Methylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 333031
Imidazo(2,1-b)(1,3)thiazol-6-ylmethanamine
CID 4680249
6-Methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
CID 16790119
2-Bromo-6-methylimidazo[2,1-b][1,3]thiazole
CID 118140654
1-[(E)-(6-chloroimidazo[2,1-b]thiazol-5-yl)methyleneamino]guanidine
CID 9571910
2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10515267
2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10802452
6-(Chloromethyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 11252938
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 45265236
2-Methylimidazo[2,1-b]thiazole
CID 14967791

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 71779139) is 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride is Cc1nc2sccn2c1CCl.Cl.
What is the InChIKey of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is MGHOQEXHWIYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S.ClH/c1-5-6(4-8)10-2-3-11-7(10)9-5;/h2-3H,4H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride?
5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 223.13 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 71779139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).