5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole

C12H16ClN3OS — CID 102965868

IUPAC5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCOC1CCCN(c2nc3sccn3c2CCl)C1
InChIInChI=1S/C12H16ClN3OS/c1-17-9-3-2-4-15(8-9)11-10(7-13)16-5-6-18-12(16)14-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUPAIYEBGFSIWKL-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.75
Rot. Bonds3

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

5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 102965868) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID102965868
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCOC1CCCN(c2nc3sccn3c2CCl)C1
InChIInChI=1S/C12H16ClN3OS/c1-17-9-3-2-4-15(8-9)11-10(7-13)16-5-6-18-12(16)14-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUPAIYEBGFSIWKL-UHFFFAOYSA-N
XLogP2.75
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)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

Related Compounds

5-(chloromethyl)-6-(3,4-dimethoxypyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 103535533
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554
1-[6-(3-ethoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63817268
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 107393585
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 62131580
N-[[6-(3-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43584762
2-methoxy-N-[[6-(3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63059967
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63150946
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole (CID 102965868) is 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole is COC1CCCN(c2nc3sccn3c2CCl)C1.
What is the InChIKey of 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is UPAIYEBGFSIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-17-9-3-2-4-15(8-9)11-10(7-13)16-5-6-18-12(16)14-11/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 285.80 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 102965868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).