N-benzo[e][1,3]benzothiazol-2-ylacetamide

C13H10N2OS — CID 808687

IUPACN-benzo[e][1,3]benzothiazol-2-ylacetamide
SMILESCC(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C13H10N2OS/c1-8(16)14-13-15-12-10-5-3-2-4-9(10)6-7-11(12)17-13/h2-7H,1H3,(H,14,15,16)
InChIKeyVHOMPDNBVNOAKT-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.41
Rot. Bonds1

About N-benzo[e][1,3]benzothiazol-2-ylacetamide

N-benzo[e][1,3]benzothiazol-2-ylacetamide (PubChem CID 808687) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-ylacetamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-ylacetamide
PubChem CID808687
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC NameN-benzo[e][1,3]benzothiazol-2-ylacetamide
SMILESCC(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C13H10N2OS/c1-8(16)14-13-15-12-10-5-3-2-4-9(10)6-7-11(12)17-13/h2-7H,1H3,(H,14,15,16)
InChIKeyVHOMPDNBVNOAKT-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylacetamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylacetamide (CID 808687) is N-benzo[e][1,3]benzothiazol-2-ylacetamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-ylacetamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-ylacetamide is CC(=O)Nc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-ylacetamide?
The InChIKey is VHOMPDNBVNOAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8(16)14-13-15-12-10-5-3-2-4-9(10)6-7-11(12)17-13/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-ylacetamide?
N-benzo[e][1,3]benzothiazol-2-ylacetamide has a molecular weight of 242.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-ylacetamide is sourced from PubChem (CID 808687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).