N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide

C15H12N2O2S — CID 11231441

IUPACN-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H12N2O2S/c18-14-12-8-4-5-9-13(12)20-17(14)15(19)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
InChIKeyFAIALGLSVDABPL-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.82
Rot. Bonds2

About N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide

N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide (PubChem CID 11231441) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide
PubChem CID11231441
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H12N2O2S/c18-14-12-8-4-5-9-13(12)20-17(14)15(19)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
InChIKeyFAIALGLSVDABPL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide?
The IUPAC name of N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide (CID 11231441) is N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide is O=C(NCc1ccccc1)n1sc2ccccc2c1=O.
What is the InChIKey of N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide?
The InChIKey is FAIALGLSVDABPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14-12-8-4-5-9-13(12)20-17(14)15(19)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19).
What are the key properties of N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide?
N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxo-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 11231441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).