N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide

C7H9N3O3S2 — CID 23449100

IUPACN-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide
SMILESCON(C)S(=O)(=O)c1ncn2ccsc12
InChIInChI=1S/C7H9N3O3S2/c1-9(13-2)15(11,12)6-7-10(5-8-6)3-4-14-7/h3-5H,1-2H3
InChIKeyZASMLNXKFYFOEX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.58
Rot. Bonds3

About N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide

N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide (PubChem CID 23449100) has the molecular formula C7H9N3O3S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide
PubChem CID23449100
Molecular FormulaC7H9N3O3S2
Molecular Weight247.30 g/mol
Exact Mass247.01
IUPAC NameN-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide
SMILESCON(C)S(=O)(=O)c1ncn2ccsc12
InChIInChI=1S/C7H9N3O3S2/c1-9(13-2)15(11,12)6-7-10(5-8-6)3-4-14-7/h3-5H,1-2H3
InChIKeyZASMLNXKFYFOEX-UHFFFAOYSA-N
XLogP0.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide?
The IUPAC name of N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide (CID 23449100) is N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide.
What is the SMILES notation for N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide?
The canonical SMILES for N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide is CON(C)S(=O)(=O)c1ncn2ccsc12.
What is the InChIKey of N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide?
The InChIKey is ZASMLNXKFYFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S2/c1-9(13-2)15(11,12)6-7-10(5-8-6)3-4-14-7/h3-5H,1-2H3.
What are the key properties of N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide?
N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide has a molecular weight of 247.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide is sourced from PubChem (CID 23449100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).