N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine

C17H18N2S — CID 135011052

IUPACN-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine
SMILESCc1cccc(C)c1/N=C1\Sc2ccccc2CN1C
InChIInChI=1S/C17H18N2S/c1-12-7-6-8-13(2)16(12)18-17-19(3)11-14-9-4-5-10-15(14)20-17/h4-10H,11H2,1-3H3/b18-17-
InChIKeyFAZSYUHLKPPADY-ZCXUNETKSA-N
MW282.41 g/mol
LogP4.53
Rot. Bonds1

About N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine

N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine (PubChem CID 135011052) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine
PubChem CID135011052
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine
SMILESCc1cccc(C)c1/N=C1\Sc2ccccc2CN1C
InChIInChI=1S/C17H18N2S/c1-12-7-6-8-13(2)16(12)18-17-19(3)11-14-9-4-5-10-15(14)20-17/h4-10H,11H2,1-3H3/b18-17-
InChIKeyFAZSYUHLKPPADY-ZCXUNETKSA-N
XLogP4.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-4-ethyl-4H-1,3-benzothiazin-2-amine
CID 25110961
N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine
CID 71482498
phenyl N'-(2,6-dimethylphenyl)-N,N-diethylcarbamimidothioate
CID 122363989
(4-methylphenyl) N'-(2,6-dimethylphenyl)-N,N-diethylcarbamimidothioate
CID 122363992
phenyl N'-[2,6-di(propan-2-yl)phenyl]-N,N-diethylcarbamimidothioate
CID 122363993
(2-methylphenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
CID 134850626
(2,4,6-trimethylphenyl) N,N-dimethyl-N'-phenylcarbamimidothioate
CID 134851979
N-(2,6-dimethylphenyl)-4H-1,3-benzothiazin-2-amine
CID 135010902
(4Z)-4-benzylidene-N,N-dibutyl-3,1-benzothiazin-2-amine
CID 135015482
3-methyl-N-pentyl-4H-1,3-benzothiazin-2-imine
CID 135021668
N-benzyl-3-methyl-4H-1,3-benzothiazin-2-imine
CID 135041410
2-Phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]benzothiazine
CID 162414419

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine?
The IUPAC name of N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine (CID 135011052) is N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine is Cc1cccc(C)c1/N=C1\Sc2ccccc2CN1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine?
The InChIKey is FAZSYUHLKPPADY-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-7-6-8-13(2)16(12)18-17-19(3)11-14-9-4-5-10-15(14)20-17/h4-10H,11H2,1-3H3/b18-17-.
What are the key properties of N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine?
N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine has a molecular weight of 282.41 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine is sourced from PubChem (CID 135011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).