4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol

C21H19NOS — CID 53388789

IUPAC4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol
SMILESCN1CC(O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21
InChIInChI=1S/C21H19NOS/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3
InChIKeyZYLBGTMYOVOPCM-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.74
Rot. Bonds2

About 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol

4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol (PubChem CID 53388789) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol.

Molecular Properties

Compound Name4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol
PubChem CID53388789
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol
SMILESCN1CC(O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21
InChIInChI=1S/C21H19NOS/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3
InChIKeyZYLBGTMYOVOPCM-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol 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 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol?
The IUPAC name of 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol (CID 53388789) is 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol.
What is the SMILES notation for 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol?
The canonical SMILES for 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol is CN1CC(O)(c2ccc(-c3ccccc3)cc2)Sc2ccccc21.
What is the InChIKey of 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol?
The InChIKey is ZYLBGTMYOVOPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol?
4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol has a molecular weight of 333.46 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol is sourced from PubChem (CID 53388789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).