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

C10H12ClN3OS2 — CID 54977364

IUPAC4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc3sccn3c2CCl)CC1
InChIInChI=1S/C10H12ClN3OS2/c11-7-8-9(12-10-14(8)1-4-16-10)13-2-5-17(15)6-3-13/h1,4H,2-3,5-7H2
InChIKeyNSRWIXDWMVGKHY-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.70
Rot. Bonds2

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

4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide (PubChem CID 54977364) has the molecular formula C10H12ClN3OS2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide
PubChem CID54977364
Molecular FormulaC10H12ClN3OS2
Molecular Weight289.81 g/mol
Exact Mass289.01
IUPAC Name4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2nc3sccn3c2CCl)CC1
InChIInChI=1S/C10H12ClN3OS2/c11-7-8-9(12-10-14(8)1-4-16-10)13-2-5-17(15)6-3-13/h1,4H,2-3,5-7H2
InChIKeyNSRWIXDWMVGKHY-UHFFFAOYSA-N
XLogP1.70
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.70
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

2-[6-(1-oxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786021
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554
5-(chloromethyl)-6-(3,4-dimethoxypyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 103535533
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
CID 107080490
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
5-(chloromethyl)-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 63152931
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methyl-1,4-oxazepane
CID 62972339
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-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 107393585
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide (CID 54977364) is 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide is O=S1CCN(c2nc3sccn3c2CCl)CC1.
What is the InChIKey of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide?
The InChIKey is NSRWIXDWMVGKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS2/c11-7-8-9(12-10-14(8)1-4-16-10)13-2-5-17(15)6-3-13/h1,4H,2-3,5-7H2.
What are the key properties of 4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide?
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1-oxide has a molecular weight of 289.81 g/mol, XLogP of 1.70, 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]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 54977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).