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

C9H9N3O2S — CID 43165023

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
SMILESNc1ccc2nc(NC(=O)CO)sc2c1
InChIInChI=1S/C9H9N3O2S/c10-5-1-2-6-7(3-5)15-9(11-6)12-8(14)4-13/h1-3,13H,4,10H2,(H,11,12,14)
InChIKeySBFLEYZYXXJTRD-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.81
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide (PubChem CID 43165023) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
PubChem CID43165023
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
SMILESNc1ccc2nc(NC(=O)CO)sc2c1
InChIInChI=1S/C9H9N3O2S/c10-5-1-2-6-7(3-5)15-9(11-6)12-8(14)4-13/h1-3,13H,4,10H2,(H,11,12,14)
InChIKeySBFLEYZYXXJTRD-UHFFFAOYSA-N
XLogP0.81
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide
CID 143516360
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503891
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 63693372
N-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropanamide
CID 29295136
N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)-2-butylsulfinylacetamide
CID 61287847
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824
N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
CID 63115305
1-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylurea
CID 28785701

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide (CID 43165023) is N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide is Nc1ccc2nc(NC(=O)CO)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide?
The InChIKey is SBFLEYZYXXJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c10-5-1-2-6-7(3-5)15-9(11-6)12-8(14)4-13/h1-3,13H,4,10H2,(H,11,12,14).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide has a molecular weight of 223.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide is sourced from PubChem (CID 43165023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).