6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole

C14H13ClN2S — CID 82061936

IUPAC6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(-c2csc3nc(CCl)cn23)c(C)c1
InChIInChI=1S/C14H13ClN2S/c1-9-3-4-12(10(2)5-9)13-8-18-14-16-11(6-15)7-17(13)14/h3-5,7-8H,6H2,1-2H3
InChIKeyVWOOGUCZEFDLCI-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.42
Rot. Bonds2

About 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole

6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 82061936) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID82061936
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(-c2csc3nc(CCl)cn23)c(C)c1
InChIInChI=1S/C14H13ClN2S/c1-9-3-4-12(10(2)5-9)13-8-18-14-16-11(6-15)7-17(13)14/h3-5,7-8H,6H2,1-2H3
InChIKeyVWOOGUCZEFDLCI-UHFFFAOYSA-N
XLogP4.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.42
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-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
[3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 96668174
2-chloroethyl N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
CID 108728178
3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 141198279
3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82483165
[3-(2,4-dimethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061943
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062412
3-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,1-diethylurea
CID 108728180
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728181
6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198498

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole (CID 82061936) is 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole is Cc1ccc(-c2csc3nc(CCl)cn23)c(C)c1.
What is the InChIKey of 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is VWOOGUCZEFDLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c1-9-3-4-12(10(2)5-9)13-8-18-14-16-11(6-15)7-17(13)14/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole?
6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 276.79 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 82061936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).