5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C16H24FN3O3S — CID 129201941

IUPAC5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCCCOCCC1(c2ccccc2F)CS(=O)(=O)N(C)C(N)=N1
InChIInChI=1S/C16H24FN3O3S/c1-3-4-10-23-11-9-16(13-7-5-6-8-14(13)17)12-24(21,22)20(2)15(18)19-16/h5-8H,3-4,9-12H2,1-2H3,(H2,18,19)
InChIKeyUAGDJSNHBRTXIJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.82
Rot. Bonds7

About 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 129201941) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID129201941
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCCCOCCC1(c2ccccc2F)CS(=O)(=O)N(C)C(N)=N1
InChIInChI=1S/C16H24FN3O3S/c1-3-4-10-23-11-9-16(13-7-5-6-8-14(13)17)12-24(21,22)20(2)15(18)19-16/h5-8H,3-4,9-12H2,1-2H3,(H2,18,19)
InChIKeyUAGDJSNHBRTXIJ-UHFFFAOYSA-N
XLogP1.82
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine 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 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 129201941) is 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CCCCOCCC1(c2ccccc2F)CS(=O)(=O)N(C)C(N)=N1.
What is the InChIKey of 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is UAGDJSNHBRTXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-3-4-10-23-11-9-16(13-7-5-6-8-14(13)17)12-24(21,22)20(2)15(18)19-16/h5-8H,3-4,9-12H2,1-2H3,(H2,18,19).
What are the key properties of 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 357.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethyl)-5-(2-fluorophenyl)-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 129201941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).