(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

C17H15FN2OS — CID 832819

IUPAC(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1ccccc1F)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C17H15FN2OS/c18-15-10-5-4-9-14(15)16(21)20-11-6-12-22-17(20)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2/b19-17-
InChIKeyOKLCJWQBOSEACI-ZPHPHTNESA-N
MW314.38 g/mol
LogP4.09
Rot. Bonds2

About (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone

(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (PubChem CID 832819) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
PubChem CID832819
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
SMILESO=C(c1ccccc1F)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C17H15FN2OS/c18-15-10-5-4-9-14(15)16(21)20-11-6-12-22-17(20)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2/b19-17-
InChIKeyOKLCJWQBOSEACI-ZPHPHTNESA-N
XLogP4.09
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 7947794
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948452
1-(2-fluorobenzoyl)pyrrolidin-2-one
CID 770090
1-[4-[[3-(3,4-dichlorobenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943591
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3989778
6-[3-(2-fluorobenzoyl)-2-oxo-1,3-diazinan-1-yl]pyridazine-3-carboxylic acid
CID 91452760
2-(4-benzoylphenoxy)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]ethanone
CID 5137010
1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 56693082
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone (CID 832819) is (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is O=C(c1ccccc1F)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
The InChIKey is OKLCJWQBOSEACI-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-15-10-5-4-9-14(15)16(21)20-11-6-12-22-17(20)19-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2/b19-17-.
What are the key properties of (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone?
(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone is sourced from PubChem (CID 832819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).