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

C14H20ClN3S — CID 83055338

IUPAC5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCCCC1CCCCN1c1nc2sccn2c1CCl
InChIInChI=1S/C14H20ClN3S/c1-2-5-11-6-3-4-7-17(11)13-12(10-15)18-8-9-19-14(18)16-13/h8-9,11H,2-7,10H2,1H3
InChIKeyNVMBUYGIFNLOQV-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.29
Rot. Bonds4

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

5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 83055338) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID83055338
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCCCC1CCCCN1c1nc2sccn2c1CCl
InChIInChI=1S/C14H20ClN3S/c1-2-5-11-6-3-4-7-17(11)13-12(10-15)18-8-9-19-14(18)16-13/h8-9,11H,2-7,10H2,1H3
InChIKeyNVMBUYGIFNLOQV-UHFFFAOYSA-N
XLogP4.29
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-6-(2-propylpiperidin-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

[6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 83056287
N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
CID 43476440
1-[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63787125
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanol
CID 61410760
1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128569
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
CID 62888980
N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476226
N-[[6-(2-ethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methoxyethanamine
CID 63060055
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine
CID 43544828
2-methyl-N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63059960
5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 102965868

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole (CID 83055338) is 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole is CCCC1CCCCN1c1nc2sccn2c1CCl.
What is the InChIKey of 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is NVMBUYGIFNLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-2-5-11-6-3-4-7-17(11)13-12(10-15)18-8-9-19-14(18)16-13/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 297.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 83055338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).