N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine

C15H14N2S — CID 135413417

IUPACN-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESCc1ccccc1/N=C1/Nc2ccccc2CS1
InChIInChI=1S/C15H14N2S/c1-11-6-2-4-8-13(11)16-15-17-14-9-5-3-7-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyVLKBTYIEMXMZDV-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.34
Rot. Bonds1

About N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine

N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine (PubChem CID 135413417) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine
PubChem CID135413417
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESCc1ccccc1/N=C1/Nc2ccccc2CS1
InChIInChI=1S/C15H14N2S/c1-11-6-2-4-8-13(11)16-15-17-14-9-5-3-7-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyVLKBTYIEMXMZDV-UHFFFAOYSA-N
XLogP4.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Xylazine
CID 5707
N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2133441
N-Phenyl-4H-3,1-benzothiazin-2-amine
CID 2998436
N-(2-Methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2064062
N-[2-(propan-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2384539
N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2446698
N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2731145
N-(4-butylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3775826
1-Naphthylamine, 5,6,7,8-tetrahydro-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-
CID 59286
N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 921158
2-benzylsulfanyl-1H-quinazoline-4-thione
CID 833786
4,4,6-trimethyl-N-(4-methylphenyl)-1,3-thiazin-2-amine
CID 2330439

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
The IUPAC name of N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine (CID 135413417) is N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine.
What is the SMILES notation for N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
The canonical SMILES for N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine is Cc1ccccc1/N=C1/Nc2ccccc2CS1.
What is the InChIKey of N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
The InChIKey is VLKBTYIEMXMZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-6-2-4-8-13(11)16-15-17-14-9-5-3-7-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine?
N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine has a molecular weight of 254.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1,4-dihydro-3,1-benzothiazin-2-imine is sourced from PubChem (CID 135413417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).