5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole

C7H10N4O2S2 — CID 20659788

IUPAC5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole
SMILESCN(Cc1ncc2sccn12)S(N)(=O)=O
InChIInChI=1S/C7H10N4O2S2/c1-10(15(8,12)13)5-6-9-4-7-11(6)2-3-14-7/h2-4H,5H2,1H3,(H2,8,12,13)
InChIKeyYFXAFBUCACNTMD-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.03
Rot. Bonds3

About 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole

5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole (PubChem CID 20659788) has the molecular formula C7H10N4O2S2 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole
PubChem CID20659788
Molecular FormulaC7H10N4O2S2
Molecular Weight246.32 g/mol
Exact Mass246.02
IUPAC Name5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole
SMILESCN(Cc1ncc2sccn12)S(N)(=O)=O
InChIInChI=1S/C7H10N4O2S2/c1-10(15(8,12)13)5-6-9-4-7-11(6)2-3-14-7/h2-4H,5H2,1H3,(H2,8,12,13)
InChIKeyYFXAFBUCACNTMD-UHFFFAOYSA-N
XLogP0.03
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole (CID 20659788) is 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole is CN(Cc1ncc2sccn12)S(N)(=O)=O.
What is the InChIKey of 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is YFXAFBUCACNTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S2/c1-10(15(8,12)13)5-6-9-4-7-11(6)2-3-14-7/h2-4H,5H2,1H3,(H2,8,12,13).
What are the key properties of 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole?
5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 246.32 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(sulfamoyl)amino]methyl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 20659788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).