2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one

C11H10FN3OS — CID 4568952

IUPAC2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
SMILESCC1SC(N=Cc2ccc(F)cc2)=NNC1=O
InChIInChI=1S/C11H10FN3OS/c1-7-10(16)14-15-11(17-7)13-6-8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16)
InChIKeyIVBPXCWJBZOIEH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.77
Rot. Bonds1

About 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one

2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one (PubChem CID 4568952) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
PubChem CID4568952
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
SMILESCC1SC(N=Cc2ccc(F)cc2)=NNC1=O
InChIInChI=1S/C11H10FN3OS/c1-7-10(16)14-15-11(17-7)13-6-8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16)
InChIKeyIVBPXCWJBZOIEH-UHFFFAOYSA-N
XLogP1.77
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-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 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one (CID 4568952) is 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one is CC1SC(N=Cc2ccc(F)cc2)=NNC1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
The InChIKey is IVBPXCWJBZOIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7-10(16)14-15-11(17-7)13-6-8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16).
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one has a molecular weight of 251.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one is sourced from PubChem (CID 4568952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).