2-(4-methylphenyl)-4H-1,3-benzothiazine

C15H13NS — CID 139062050

IUPAC2-(4-methylphenyl)-4H-1,3-benzothiazine
SMILESCc1ccc(C2=NCc3ccccc3S2)cc1
InChIInChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)15-16-10-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3
InChIKeyXBZQKNAJEUMNOV-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.05
Rot. Bonds1

About 2-(4-methylphenyl)-4H-1,3-benzothiazine

2-(4-methylphenyl)-4H-1,3-benzothiazine (PubChem CID 139062050) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4H-1,3-benzothiazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4H-1,3-benzothiazine
PubChem CID139062050
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-(4-methylphenyl)-4H-1,3-benzothiazine
SMILESCc1ccc(C2=NCc3ccccc3S2)cc1
InChIInChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)15-16-10-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3
InChIKeyXBZQKNAJEUMNOV-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4H-1,3-benzothiazine?
The IUPAC name of 2-(4-methylphenyl)-4H-1,3-benzothiazine (CID 139062050) is 2-(4-methylphenyl)-4H-1,3-benzothiazine.
What is the SMILES notation for 2-(4-methylphenyl)-4H-1,3-benzothiazine?
The canonical SMILES for 2-(4-methylphenyl)-4H-1,3-benzothiazine is Cc1ccc(C2=NCc3ccccc3S2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4H-1,3-benzothiazine?
The InChIKey is XBZQKNAJEUMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)15-16-10-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4H-1,3-benzothiazine?
2-(4-methylphenyl)-4H-1,3-benzothiazine has a molecular weight of 239.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4H-1,3-benzothiazine is sourced from PubChem (CID 139062050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).