1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one

C13H10FNO3S2 — CID 46506634

IUPAC1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21
InChIInChI=1S/C13H10FNO3S2/c14-10-3-1-9(2-4-10)7-15-11-5-6-19-13(11)12(16)8-20(15,17)18/h1-6H,7-8H2
InChIKeyCZWDYEYEBHIIQS-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.42
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one

1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one (PubChem CID 46506634) has the molecular formula C13H10FNO3S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one
PubChem CID46506634
Molecular FormulaC13H10FNO3S2
Molecular Weight311.36 g/mol
Exact Mass311.01
IUPAC Name1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21
InChIInChI=1S/C13H10FNO3S2/c14-10-3-1-9(2-4-10)7-15-11-5-6-19-13(11)12(16)8-20(15,17)18/h1-6H,7-8H2
InChIKeyCZWDYEYEBHIIQS-UHFFFAOYSA-N
XLogP2.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one (CID 46506634) is 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one is O=C1CS(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one?
The InChIKey is CZWDYEYEBHIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S2/c14-10-3-1-9(2-4-10)7-15-11-5-6-19-13(11)12(16)8-20(15,17)18/h1-6H,7-8H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one?
1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one has a molecular weight of 311.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2,2-dioxothieno[3,2-c]thiazin-4-one is sourced from PubChem (CID 46506634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).