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

C6H6ClN3O2S2 — CID 14422482

IUPAC6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1c(CCl)nc2sccn12
InChIInChI=1S/C6H6ClN3O2S2/c7-3-4-5(14(8,11)12)10-1-2-13-6(10)9-4/h1-2H,3H2,(H2,8,11,12)
InChIKeyVTGCOGJSDDNOKN-UHFFFAOYSA-N
MW251.72 g/mol
LogP0.78
Rot. Bonds2

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

6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 14422482) has the molecular formula C6H6ClN3O2S2 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID14422482
Molecular FormulaC6H6ClN3O2S2
Molecular Weight251.72 g/mol
Exact Mass250.96
IUPAC Name6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1c(CCl)nc2sccn12
InChIInChI=1S/C6H6ClN3O2S2/c7-3-4-5(14(8,11)12)10-1-2-13-6(10)9-4/h1-2H,3H2,(H2,8,11,12)
InChIKeyVTGCOGJSDDNOKN-UHFFFAOYSA-N
XLogP0.78
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 14422482) is 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NS(=O)(=O)c1c(CCl)nc2sccn12.
What is the InChIKey of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VTGCOGJSDDNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2S2/c7-3-4-5(14(8,11)12)10-1-2-13-6(10)9-4/h1-2H,3H2,(H2,8,11,12).
What are the key properties of 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 251.72 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 14422482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).