4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine

C12H14FN3O3S — CID 71468130

IUPAC4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine
SMILESCN1C(N)=NC2(c3ccccc3F)COCC2S1(=O)=O
InChIInChI=1S/C12H14FN3O3S/c1-16-11(14)15-12(8-4-2-3-5-9(8)13)7-19-6-10(12)20(16,17)18/h2-5,10H,6-7H2,1H3,(H2,14,15)
InChIKeyJEUWZBSZTAEEME-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.01
Rot. Bonds1

About 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine

4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine (PubChem CID 71468130) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine.

Molecular Properties

Compound Name4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine
PubChem CID71468130
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine
SMILESCN1C(N)=NC2(c3ccccc3F)COCC2S1(=O)=O
InChIInChI=1S/C12H14FN3O3S/c1-16-11(14)15-12(8-4-2-3-5-9(8)13)7-19-6-10(12)20(16,17)18/h2-5,10H,6-7H2,1H3,(H2,14,15)
InChIKeyJEUWZBSZTAEEME-UHFFFAOYSA-N
XLogP0.01
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine?
The IUPAC name of 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine (CID 71468130) is 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine.
What is the SMILES notation for 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine?
The canonical SMILES for 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine is CN1C(N)=NC2(c3ccccc3F)COCC2S1(=O)=O.
What is the InChIKey of 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine?
The InChIKey is JEUWZBSZTAEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-16-11(14)15-12(8-4-2-3-5-9(8)13)7-19-6-10(12)20(16,17)18/h2-5,10H,6-7H2,1H3,(H2,14,15).
What are the key properties of 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine?
4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine has a molecular weight of 299.33 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(2-fluorophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-3-amine is sourced from PubChem (CID 71468130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).