2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide

C10H12N4O3S2 — CID 10590334

IUPAC2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
SMILESCNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C10H12N4O3S2/c1-12-5-9(15)13-6-2-3-7-8(4-6)18-10(14-7)19(11,16)17/h2-4,12H,5H2,1H3,(H,13,15)(H2,11,16,17)
InChIKeyUDEGAALAQOUSOF-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.10
Rot. Bonds4

About 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide

2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 10590334) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID10590334
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
SMILESCNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C10H12N4O3S2/c1-12-5-9(15)13-6-2-3-7-8(4-6)18-10(14-7)19(11,16)17/h2-4,12H,5H2,1H3,(H,13,15)(H2,11,16,17)
InChIKeyUDEGAALAQOUSOF-UHFFFAOYSA-N
XLogP0.10
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide (CID 10590334) is 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide is CNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1.
What is the InChIKey of 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is UDEGAALAQOUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-12-5-9(15)13-6-2-3-7-8(4-6)18-10(14-7)19(11,16)17/h2-4,12H,5H2,1H3,(H,13,15)(H2,11,16,17).
What are the key properties of 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 10590334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).