2-phenyl-1,4-benzothiazine-4-carbaldehyde

C15H11NOS — CID 86209805

IUPAC2-phenyl-1,4-benzothiazine-4-carbaldehyde
SMILESO=CN1C=C(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H11NOS/c17-11-16-10-15(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16/h1-11H
InChIKeyUXDVDAYCAQJTIW-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.75
Rot. Bonds2

About 2-phenyl-1,4-benzothiazine-4-carbaldehyde

2-phenyl-1,4-benzothiazine-4-carbaldehyde (PubChem CID 86209805) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-phenyl-1,4-benzothiazine-4-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1,4-benzothiazine-4-carbaldehyde
PubChem CID86209805
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name2-phenyl-1,4-benzothiazine-4-carbaldehyde
SMILESO=CN1C=C(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H11NOS/c17-11-16-10-15(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16/h1-11H
InChIKeyUXDVDAYCAQJTIW-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-phenyl-1,4-benzothiazine-4-carbaldehyde 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 2-phenyl-1,4-benzothiazine-4-carbaldehyde?
The IUPAC name of 2-phenyl-1,4-benzothiazine-4-carbaldehyde (CID 86209805) is 2-phenyl-1,4-benzothiazine-4-carbaldehyde.
What is the SMILES notation for 2-phenyl-1,4-benzothiazine-4-carbaldehyde?
The canonical SMILES for 2-phenyl-1,4-benzothiazine-4-carbaldehyde is O=CN1C=C(c2ccccc2)Sc2ccccc21.
What is the InChIKey of 2-phenyl-1,4-benzothiazine-4-carbaldehyde?
The InChIKey is UXDVDAYCAQJTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-11-16-10-15(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16/h1-11H.
What are the key properties of 2-phenyl-1,4-benzothiazine-4-carbaldehyde?
2-phenyl-1,4-benzothiazine-4-carbaldehyde has a molecular weight of 253.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4-benzothiazine-4-carbaldehyde is sourced from PubChem (CID 86209805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).