5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole

C9H11ClN2S — CID 82062114

IUPAC5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCC(C)c1csc2ncc(CCl)n12
InChIInChI=1S/C9H11ClN2S/c1-6(2)8-5-13-9-11-4-7(3-10)12(8)9/h4-6H,3H2,1-2H3
InChIKeyWHNKKXMRPGHBIP-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.26
Rot. Bonds2

About 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole

5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 82062114) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole
PubChem CID82062114
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCC(C)c1csc2ncc(CCl)n12
InChIInChI=1S/C9H11ClN2S/c1-6(2)8-5-13-9-11-4-7(3-10)12(8)9/h4-6H,3H2,1-2H3
InChIKeyWHNKKXMRPGHBIP-UHFFFAOYSA-N
XLogP3.26
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-3-propan-2-ylimidazo[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 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole (CID 82062114) is 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole is CC(C)c1csc2ncc(CCl)n12.
What is the InChIKey of 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is WHNKKXMRPGHBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c1-6(2)8-5-13-9-11-4-7(3-10)12(8)9/h4-6H,3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 214.72 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 82062114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).