5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

C13H10ClFN2S — CID 82061926

IUPAC5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1sc2ncc(CCl)n2c1-c1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2S/c1-8-12(9-2-4-10(15)5-3-9)17-11(6-14)7-16-13(17)18-8/h2-5,7H,6H2,1H3
InChIKeyURZHJFNKEYFIIU-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.25
Rot. Bonds2

About 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 82061926) has the molecular formula C13H10ClFN2S and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
PubChem CID82061926
Molecular FormulaC13H10ClFN2S
Molecular Weight280.76 g/mol
Exact Mass280.02
IUPAC Name5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1sc2ncc(CCl)n2c1-c1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2S/c1-8-12(9-2-4-10(15)5-3-9)17-11(6-14)7-16-13(17)18-8/h2-5,7H,6H2,1H3
InChIKeyURZHJFNKEYFIIU-UHFFFAOYSA-N
XLogP4.25
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.25
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

[3-(4-ethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061882
2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195164
5-(chloromethyl)-2-(4-fluorophenyl)-1-methylimidazole
CID 44818488
2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062309
2-[2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195162
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195012
2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062312
[3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061918
2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195226
4-(chloromethyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)triazole
CID 56769745
5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 71552920

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole (CID 82061926) is 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole is Cc1sc2ncc(CCl)n2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is URZHJFNKEYFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2S/c1-8-12(9-2-4-10(15)5-3-9)17-11(6-14)7-16-13(17)18-8/h2-5,7H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 280.76 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 82061926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).