N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide

C9H9N3O4S — CID 143516360

IUPACN-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1nc2ccc(N(O)O)cc2s1
InChIInChI=1S/C9H9N3O4S/c13-4-8(14)11-9-10-6-2-1-5(12(15)16)3-7(6)17-9/h1-3,13,15-16H,4H2,(H,10,11,14)
InChIKeyRPSZTTQBFMTIKE-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.81
Rot. Bonds3

About N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide

N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide (PubChem CID 143516360) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide
PubChem CID143516360
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC NameN-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1nc2ccc(N(O)O)cc2s1
InChIInChI=1S/C9H9N3O4S/c13-4-8(14)11-9-10-6-2-1-5(12(15)16)3-7(6)17-9/h1-3,13,15-16H,4H2,(H,10,11,14)
InChIKeyRPSZTTQBFMTIKE-UHFFFAOYSA-N
XLogP0.81
TPSA105.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
(2S)-2-amino-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylpropanamide
CID 134235960
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
N-(6-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-yloxyacetamide
CID 121086709
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961

Frequently Asked Questions

What is the IUPAC name of N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide (CID 143516360) is N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide is O=C(CO)Nc1nc2ccc(N(O)O)cc2s1.
What is the InChIKey of N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide?
The InChIKey is RPSZTTQBFMTIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c13-4-8(14)11-9-10-6-2-1-5(12(15)16)3-7(6)17-9/h1-3,13,15-16H,4H2,(H,10,11,14).
What are the key properties of N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide?
N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide has a molecular weight of 255.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dihydroxyamino)-1,3-benzothiazol-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 143516360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).