N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver

C11H12AgN2O2S — CID 87950103

IUPACN-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
SMILESCCC(O)C(=O)Nc1nc2ccccc2s1.[Ag]
InChIInChI=1S/C11H12N2O2S.Ag/c1-2-8(14)10(15)13-11-12-7-5-3-4-6-9(7)16-11;/h3-6,8,14H,2H2,1H3,(H,12,13,15);
InChIKeyVSZOZXFMVAUVNH-UHFFFAOYSA-N
MW344.16 g/mol
LogP2.00
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver

N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver (PubChem CID 87950103) has the molecular formula C11H12AgN2O2S and a molecular weight of 344.16 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
PubChem CID87950103
Molecular FormulaC11H12AgN2O2S
Molecular Weight344.16 g/mol
Exact Mass342.97
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
SMILESCCC(O)C(=O)Nc1nc2ccccc2s1.[Ag]
InChIInChI=1S/C11H12N2O2S.Ag/c1-2-8(14)10(15)13-11-12-7-5-3-4-6-9(7)16-11;/h3-6,8,14H,2H2,1H3,(H,12,13,15);
InChIKeyVSZOZXFMVAUVNH-UHFFFAOYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
(2S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methylbutanamide;hydrochloride
CID 119262464
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-pentan-3-ylpropanamide
CID 8849998
(2S)-N-(1,3-benzothiazol-2-yl)-2-phenylsulfanylpropanamide
CID 8882295
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
(2R)-2-amino-N-(1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide
CID 104906860
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
(2S)-N-(1,3-benzothiazol-2-yl)-2-(carbamoylamino)-3-methylbutanamide
CID 8928085
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-methylpropanamide
CID 17099689

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver (CID 87950103) is N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver is CCC(O)C(=O)Nc1nc2ccccc2s1.[Ag].
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver?
The InChIKey is VSZOZXFMVAUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S.Ag/c1-2-8(14)10(15)13-11-12-7-5-3-4-6-9(7)16-11;/h3-6,8,14H,2H2,1H3,(H,12,13,15);.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver?
N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver has a molecular weight of 344.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver is sourced from PubChem (CID 87950103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).