2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

C19H19FN2OS — CID 7947841

IUPAC2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C19H19FN2OS/c1-14-7-2-5-10-17(14)21-19-22(11-6-12-24-19)18(23)13-15-8-3-4-9-16(15)20/h2-5,7-10H,6,11-13H2,1H3/b21-19-
InChIKeyUWEUSLUUYPDXGV-VZCXRCSSSA-N
MW342.44 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 7947841) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID7947841
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C19H19FN2OS/c1-14-7-2-5-10-17(14)21-19-22(11-6-12-24-19)18(23)13-15-8-3-4-9-16(15)20/h2-5,7-10H,6,11-13H2,1H3/b21-19-
InChIKeyUWEUSLUUYPDXGV-VZCXRCSSSA-N
XLogP4.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 7947841) is 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is Cc1ccccc1/N=C1\SCCCN1C(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is UWEUSLUUYPDXGV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-14-7-2-5-10-17(14)21-19-22(11-6-12-24-19)18(23)13-15-8-3-4-9-16(15)20/h2-5,7-10H,6,11-13H2,1H3/b21-19-.
What are the key properties of 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 7947841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).