5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one

C5H7FN2OS — CID 86205376

IUPAC5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESCC1NC(=S)NC(=O)C1F
InChIInChI=1S/C5H7FN2OS/c1-2-3(6)4(9)8-5(10)7-2/h2-3H,1H3,(H2,7,8,9,10)
InChIKeySXZAIZMKINZFGA-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.28
Rot. Bonds

About 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one

5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 86205376) has the molecular formula C5H7FN2OS and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID86205376
Molecular FormulaC5H7FN2OS
Molecular Weight162.19 g/mol
Exact Mass162.03
IUPAC Name5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESCC1NC(=S)NC(=O)C1F
InChIInChI=1S/C5H7FN2OS/c1-2-3(6)4(9)8-5(10)7-2/h2-3H,1H3,(H2,7,8,9,10)
InChIKeySXZAIZMKINZFGA-UHFFFAOYSA-N
XLogP-0.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one (CID 86205376) is 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one is CC1NC(=S)NC(=O)C1F.
What is the InChIKey of 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is SXZAIZMKINZFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2OS/c1-2-3(6)4(9)8-5(10)7-2/h2-3H,1H3,(H2,7,8,9,10).
What are the key properties of 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one?
5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 162.19 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 86205376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).