7-methyl-2,3-diphenyl-2H-1,4-benzothiazine

C21H17NS — CID 11738574

IUPAC7-methyl-2,3-diphenyl-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)SC(c1ccccc1)C(c1ccccc1)=N2
InChIInChI=1S/C21H17NS/c1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16/h2-14,21H,1H3
InChIKeyZLKXPIWOESRWCL-UHFFFAOYSA-N
MW315.44 g/mol
LogP5.96
Rot. Bonds2

About 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine

7-methyl-2,3-diphenyl-2H-1,4-benzothiazine (PubChem CID 11738574) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7-methyl-2,3-diphenyl-2H-1,4-benzothiazine
PubChem CID11738574
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name7-methyl-2,3-diphenyl-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)SC(c1ccccc1)C(c1ccccc1)=N2
InChIInChI=1S/C21H17NS/c1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16/h2-14,21H,1H3
InChIKeyZLKXPIWOESRWCL-UHFFFAOYSA-N
XLogP5.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine?
The IUPAC name of 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine (CID 11738574) is 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine.
What is the SMILES notation for 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine?
The canonical SMILES for 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine is Cc1ccc2c(c1)SC(c1ccccc1)C(c1ccccc1)=N2.
What is the InChIKey of 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine?
The InChIKey is ZLKXPIWOESRWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16/h2-14,21H,1H3.
What are the key properties of 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine?
7-methyl-2,3-diphenyl-2H-1,4-benzothiazine has a molecular weight of 315.44 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-diphenyl-2H-1,4-benzothiazine is sourced from PubChem (CID 11738574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).