N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine

C16H16N2S — CID 135041410

IUPACN-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine
SMILESCN1Cc2ccccc2S/C1=N\Cc1ccccc1
InChIInChI=1S/C16H16N2S/c1-18-12-14-9-5-6-10-15(14)19-16(18)17-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/b17-16-
InChIKeyZAGIDJFLLWVKHZ-MSUUIHNZSA-N
MW268.38 g/mol
LogP3.78
Rot. Bonds2

About N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine

N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine (PubChem CID 135041410) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine.

Molecular Properties

Compound NameN-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine
PubChem CID135041410
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine
SMILESCN1Cc2ccccc2S/C1=N\Cc1ccccc1
InChIInChI=1S/C16H16N2S/c1-18-12-14-9-5-6-10-15(14)19-16(18)17-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/b17-16-
InChIKeyZAGIDJFLLWVKHZ-MSUUIHNZSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine?
The IUPAC name of N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine (CID 135041410) is N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine.
What is the SMILES notation for N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine?
The canonical SMILES for N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine is CN1Cc2ccccc2S/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine?
The InChIKey is ZAGIDJFLLWVKHZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2S/c1-18-12-14-9-5-6-10-15(14)19-16(18)17-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/b17-16-.
What are the key properties of N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine?
N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine has a molecular weight of 268.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine is sourced from PubChem (CID 135041410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).