1H-benzo[e][1,3]benzothiazol-2-one

C11H7NOS — CID 14596408

IUPAC1H-benzo[e][1,3]benzothiazol-2-one
SMILESO=c1[nH]c2c(ccc3ccccc32)s1
InChIInChI=1S/C11H7NOS/c13-11-12-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H,12,13)
InChIKeyNZROULYDNUMFJI-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.74
Rot. Bonds

About 1H-benzo[e][1,3]benzothiazol-2-one

1H-benzo[e][1,3]benzothiazol-2-one (PubChem CID 14596408) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 1H-benzo[e][1,3]benzothiazol-2-one.

Molecular Properties

Compound Name1H-benzo[e][1,3]benzothiazol-2-one
PubChem CID14596408
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name1H-benzo[e][1,3]benzothiazol-2-one
SMILESO=c1[nH]c2c(ccc3ccccc32)s1
InChIInChI=1S/C11H7NOS/c13-11-12-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H,12,13)
InChIKeyNZROULYDNUMFJI-UHFFFAOYSA-N
XLogP2.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-benzo[e][1,3]benzothiazol-2-one 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 1H-benzo[e][1,3]benzothiazol-2-one?
The IUPAC name of 1H-benzo[e][1,3]benzothiazol-2-one (CID 14596408) is 1H-benzo[e][1,3]benzothiazol-2-one.
What is the SMILES notation for 1H-benzo[e][1,3]benzothiazol-2-one?
The canonical SMILES for 1H-benzo[e][1,3]benzothiazol-2-one is O=c1[nH]c2c(ccc3ccccc32)s1.
What is the InChIKey of 1H-benzo[e][1,3]benzothiazol-2-one?
The InChIKey is NZROULYDNUMFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c13-11-12-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H,12,13).
What are the key properties of 1H-benzo[e][1,3]benzothiazol-2-one?
1H-benzo[e][1,3]benzothiazol-2-one has a molecular weight of 201.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[e][1,3]benzothiazol-2-one is sourced from PubChem (CID 14596408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).