3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

C8H11ClN2S — CID 25178355

IUPAC3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CCl)=CSC2=N1
InChIInChI=1S/C8H11ClN2S/c1-8(2)5-11-6(3-9)4-12-7(11)10-8/h4H,3,5H2,1-2H3
InChIKeyQCZJKWKRYIDOIX-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.26
Rot. Bonds1

About 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 25178355) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID25178355
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CCl)=CSC2=N1
InChIInChI=1S/C8H11ClN2S/c1-8(2)5-11-6(3-9)4-12-7(11)10-8/h4H,3,5H2,1-2H3
InChIKeyQCZJKWKRYIDOIX-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 25178355) is 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC1(C)CN2C(CCl)=CSC2=N1.
What is the InChIKey of 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is QCZJKWKRYIDOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-8(2)5-11-6(3-9)4-12-7(11)10-8/h4H,3,5H2,1-2H3.
What are the key properties of 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 202.71 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 25178355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).