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

C13H18ClN3OS — CID 107393585

IUPAC5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCOC1(C)CCCN(c2nc3sccn3c2CCl)C1
InChIInChI=1S/C13H18ClN3OS/c1-13(18-2)4-3-5-16(9-13)11-10(8-14)17-6-7-19-12(17)15-11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyFDWKOYGDEIENJH-UHFFFAOYSA-N
MW299.83 g/mol
LogP3.14
Rot. Bonds3

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

5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 107393585) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID107393585
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCOC1(C)CCCN(c2nc3sccn3c2CCl)C1
InChIInChI=1S/C13H18ClN3OS/c1-13(18-2)4-3-5-16(9-13)11-10(8-14)17-6-7-19-12(17)15-11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyFDWKOYGDEIENJH-UHFFFAOYSA-N
XLogP3.14
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 102965868
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
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methyl-1,4-oxazepane
CID 62972339
4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
CID 107405457
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide
CID 54977364
5-(chloromethyl)-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 63152931
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
2-[2-(3-methoxy-3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 107395888
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole (CID 107393585) is 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole is COC1(C)CCCN(c2nc3sccn3c2CCl)C1.
What is the InChIKey of 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is FDWKOYGDEIENJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-13(18-2)4-3-5-16(9-13)11-10(8-14)17-6-7-19-12(17)15-11/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 299.83 g/mol, XLogP of 3.14, 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-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107393585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).