4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine

C12H16ClN3OS — CID 43544828

IUPAC4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine
SMILESCC1CN(c2nc3sccn3c2CCl)C(C)CO1
InChIInChI=1S/C12H16ClN3OS/c1-8-7-17-9(2)6-16(8)11-10(5-13)15-3-4-18-12(15)14-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyQUICBBJJIFYFSO-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.75
Rot. Bonds2

About 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine

4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine (PubChem CID 43544828) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine
PubChem CID43544828
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine
SMILESCC1CN(c2nc3sccn3c2CCl)C(C)CO1
InChIInChI=1S/C12H16ClN3OS/c1-8-7-17-9(2)6-16(8)11-10(5-13)15-3-4-18-12(15)14-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyQUICBBJJIFYFSO-UHFFFAOYSA-N
XLogP2.75
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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'}

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Related Compounds

4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methyl-1,4-oxazepane
CID 62972339
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
5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 83055338
5-(2,5-dimethylmorpholin-4-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62145564
5-(chloromethyl)-6-(3-methoxypiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 102965868
5-(chloromethyl)-6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 62131580
5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
CID 62489333
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 104961298
2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 79934693
N-methyl-1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 79929871

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine?
The IUPAC name of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine (CID 43544828) is 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine is CC1CN(c2nc3sccn3c2CCl)C(C)CO1.
What is the InChIKey of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine?
The InChIKey is QUICBBJJIFYFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-8-7-17-9(2)6-16(8)11-10(5-13)15-3-4-18-12(15)14-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine?
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine has a molecular weight of 285.80 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine is sourced from PubChem (CID 43544828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).