5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine

C11H11FN2S — CID 22944339

IUPAC5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine
SMILESC/N=C1\SCCN=C1c1ccc(F)cc1
InChIInChI=1S/C11H11FN2S/c1-13-11-10(14-6-7-15-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3/b13-11-
InChIKeyKMQACEGZRGRFKG-QBFSEMIESA-N
MW222.29 g/mol
LogP2.39
Rot. Bonds1

About 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine

5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine (PubChem CID 22944339) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine
PubChem CID22944339
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine
SMILESC/N=C1\SCCN=C1c1ccc(F)cc1
InChIInChI=1S/C11H11FN2S/c1-13-11-10(14-6-7-15-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3/b13-11-
InChIKeyKMQACEGZRGRFKG-QBFSEMIESA-N
XLogP2.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-phenyl-
CID 120429
Thiazole, 4,5-dihydro-2-(4-methylphenyl)-
CID 202678
5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135468797
Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
Thiazolium, 4,5-dihydro-3-methyl-2-phenyl-, iodide
CID 213651
Thiazole, 4,5-dihydro-2-(3-methylphenyl)-
CID 3024542
3-Thiazoline, 2-ethyl-4-phenyl-
CID 3050568
Thiazolium, 2-(4-fluorophenyl)-4,5-dihydro-3-methyl-, iodide
CID 13425513
3-Ethyl-2-phenyl-4,5-dihydro-1,3-thiazol-3-ium iodide
CID 13425531
3-Thiazoline, 2-ethyl-2-methyl-4-phenyl-
CID 13738288

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine (CID 22944339) is 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine is C/N=C1\SCCN=C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine?
The InChIKey is KMQACEGZRGRFKG-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11FN2S/c1-13-11-10(14-6-7-15-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3/b13-11-.
What are the key properties of 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine?
5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine has a molecular weight of 222.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-2,3-dihydro-1,4-thiazin-6-imine is sourced from PubChem (CID 22944339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).