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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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).