2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide

C12H12N4O2S2 — CID 63000149

IUPAC2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cnc(C)[nH]3)sc2c1
InChIInChI=1S/C12H12N4O2S2/c1-7-3-4-9-10(5-7)19-12(15-9)16-20(17,18)11-6-13-8(2)14-11/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGKLBZEQAALQOTE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide

2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 63000149) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID63000149
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cnc(C)[nH]3)sc2c1
InChIInChI=1S/C12H12N4O2S2/c1-7-3-4-9-10(5-7)19-12(15-9)16-20(17,18)11-6-13-8(2)14-11/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGKLBZEQAALQOTE-UHFFFAOYSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide (CID 63000149) is 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide is Cc1ccc2nc(NS(=O)(=O)c3cnc(C)[nH]3)sc2c1.
What is the InChIKey of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is GKLBZEQAALQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c1-7-3-4-9-10(5-7)19-12(15-9)16-20(17,18)11-6-13-8(2)14-11/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 308.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 63000149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).