3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one

C18H18FNOS2 — CID 3721864

IUPAC3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one
SMILESCSc1ccc(C2SCCC(=O)N2Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FNOS2/c1-22-15-8-6-13(7-9-15)18-20(17(21)10-11-23-18)12-14-4-2-3-5-16(14)19/h2-9,18H,10-12H2,1H3
InChIKeyFCIJVWWIOOWTIS-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.71
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one

3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one (PubChem CID 3721864) has the molecular formula C18H18FNOS2 and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one
PubChem CID3721864
Molecular FormulaC18H18FNOS2
Molecular Weight347.48 g/mol
Exact Mass347.08
IUPAC Name3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one
SMILESCSc1ccc(C2SCCC(=O)N2Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FNOS2/c1-22-15-8-6-13(7-9-15)18-20(17(21)10-11-23-18)12-14-4-2-3-5-16(14)19/h2-9,18H,10-12H2,1H3
InChIKeyFCIJVWWIOOWTIS-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3396492
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
3-[(2,6-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3676191
3-[(2-fluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3741447
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 23734588
(2S)-1-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-diazinane
CID 92569468
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347
2-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3843485
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one (CID 3721864) is 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one is CSc1ccc(C2SCCC(=O)N2Cc2ccccc2F)cc1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one?
The InChIKey is FCIJVWWIOOWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS2/c1-22-15-8-6-13(7-9-15)18-20(17(21)10-11-23-18)12-14-4-2-3-5-16(14)19/h2-9,18H,10-12H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one?
3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one has a molecular weight of 347.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3721864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).