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

C9H10N4O3S2 — CID 10589291

IUPAC2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
SMILESNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C9H10N4O3S2/c10-4-8(14)12-5-1-2-6-7(3-5)17-9(13-6)18(11,15)16/h1-3H,4,10H2,(H,12,14)(H2,11,15,16)
InChIKeyXKTOGAYSSPHDPM-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.16
Rot. Bonds3

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

2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 10589291) has the molecular formula C9H10N4O3S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID10589291
Molecular FormulaC9H10N4O3S2
Molecular Weight286.34 g/mol
Exact Mass286.02
IUPAC Name2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide
SMILESNCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C9H10N4O3S2/c10-4-8(14)12-5-1-2-6-7(3-5)17-9(13-6)18(11,15)16/h1-3H,4,10H2,(H,12,14)(H2,11,15,16)
InChIKeyXKTOGAYSSPHDPM-UHFFFAOYSA-N
XLogP-0.16
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide (CID 10589291) is 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide is NCC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1.
What is the InChIKey of 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is XKTOGAYSSPHDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S2/c10-4-8(14)12-5-1-2-6-7(3-5)17-9(13-6)18(11,15)16/h1-3H,4,10H2,(H,12,14)(H2,11,15,16).
What are the key properties of 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide?
2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 286.34 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 10589291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).