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

C17H16FNO2S — CID 4598218

IUPAC3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccc(O)cc2)N1Cc1ccccc1F
InChIInChI=1S/C17H16FNO2S/c18-15-4-2-1-3-13(15)11-19-16(21)9-10-22-17(19)12-5-7-14(20)8-6-12/h1-8,17,20H,9-11H2
InChIKeyKZBBLIGCAVAGFZ-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.70
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one (PubChem CID 4598218) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one
PubChem CID4598218
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one
SMILESO=C1CCSC(c2ccc(O)cc2)N1Cc1ccccc1F
InChIInChI=1S/C17H16FNO2S/c18-15-4-2-1-3-13(15)11-19-16(21)9-10-22-17(19)12-5-7-14(20)8-6-12/h1-8,17,20H,9-11H2
InChIKeyKZBBLIGCAVAGFZ-UHFFFAOYSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one (CID 4598218) is 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one is O=C1CCSC(c2ccc(O)cc2)N1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one?
The InChIKey is KZBBLIGCAVAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-15-4-2-1-3-13(15)11-19-16(21)9-10-22-17(19)12-5-7-14(20)8-6-12/h1-8,17,20H,9-11H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one?
3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one has a molecular weight of 317.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 4598218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).