4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine

C21H19NS — CID 53392541

IUPAC4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)Sc2ccccc21
InChIInChI=1S/C21H19NS/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3
InChIKeyCXGQMCZZQKYDAA-UHFFFAOYSA-N
MW317.46 g/mol
LogP5.64
Rot. Bonds2

About 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine

4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine (PubChem CID 53392541) has the molecular formula C21H19NS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine
PubChem CID53392541
Molecular FormulaC21H19NS
Molecular Weight317.46 g/mol
Exact Mass317.12
IUPAC Name4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)Sc2ccccc21
InChIInChI=1S/C21H19NS/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3
InChIKeyCXGQMCZZQKYDAA-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine (CID 53392541) is 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine is CN1CC(c2ccc(-c3ccccc3)cc2)Sc2ccccc21.
What is the InChIKey of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine?
The InChIKey is CXGQMCZZQKYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NS/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine?
4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine has a molecular weight of 317.46 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 53392541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).