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

C7H7ClN2S — CID 10750069

IUPAC5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CCl
InChIInChI=1S/C7H7ClN2S/c1-5-6(4-8)10-2-3-11-7(10)9-5/h2-3H,4H2,1H3
InChIKeyMILSXGFDRFWACP-UHFFFAOYSA-N
MW186.67 g/mol
LogP2.44
Rot. Bonds1

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

5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 10750069) has the molecular formula C7H7ClN2S and a molecular weight of 186.67 g/mol. Its IUPAC name is 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID10750069
Molecular FormulaC7H7ClN2S
Molecular Weight186.67 g/mol
Exact Mass186.00
IUPAC Name5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CCl
InChIInChI=1S/C7H7ClN2S/c1-5-6(4-8)10-2-3-11-7(10)9-5/h2-3H,4H2,1H3
InChIKeyMILSXGFDRFWACP-UHFFFAOYSA-N
XLogP2.44
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 52.44
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
Imidazo(2,1-b)thiazole-5-carboximidamide, 6-chloro-N-hydroxy-
CID 5747923
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

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole (CID 10750069) is 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1CCl.
What is the InChIKey of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is MILSXGFDRFWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S/c1-5-6(4-8)10-2-3-11-7(10)9-5/h2-3H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 186.67 g/mol, XLogP of 2.44, 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 is sourced from PubChem (CID 10750069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).