N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide

C15H12N2O2S — CID 44623833

IUPACN-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(=O)n(-c3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-10(18)16-11-7-8-13-14(9-11)20-17(15(13)19)12-5-3-2-4-6-12/h2-9H,1H3,(H,16,18)
InChIKeyMUZGWPOHOQOQKK-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.01
Rot. Bonds2

About N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide

N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide (PubChem CID 44623833) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide
PubChem CID44623833
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(=O)n(-c3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-10(18)16-11-7-8-13-14(9-11)20-17(15(13)19)12-5-3-2-4-6-12/h2-9H,1H3,(H,16,18)
InChIKeyMUZGWPOHOQOQKK-UHFFFAOYSA-N
XLogP3.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1,2-benzisothiazol-3-(2H)-one
CID 164981
2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CID 935415
6-Aminosaccharin
CID 64789
5-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 22416235
6-Fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one
CID 1510379
2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16749996
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
6-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 1510378
2-(3-Iodophenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CID 25181207
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbenzamide
CID 16749975
acs.jmedchem.1c00409_ST.172
CID 81434740

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide?
The IUPAC name of N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide (CID 44623833) is N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide is CC(=O)Nc1ccc2c(=O)n(-c3ccccc3)sc2c1.
What is the InChIKey of N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide?
The InChIKey is MUZGWPOHOQOQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10(18)16-11-7-8-13-14(9-11)20-17(15(13)19)12-5-3-2-4-6-12/h2-9H,1H3,(H,16,18).
What are the key properties of N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide?
N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-2-phenyl-1,2-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 44623833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).