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

C10H8FN3OS — CID 676682

IUPAC2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
SMILESO=C1CSC(N=Cc2ccc(F)cc2)=NN1
InChIInChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-10-14-13-9(15)6-16-10/h1-5H,6H2,(H,13,15)
InChIKeyRBXHBMHNPPXNGK-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.38
Rot. Bonds1

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

2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one (PubChem CID 676682) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
PubChem CID676682
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
SMILESO=C1CSC(N=Cc2ccc(F)cc2)=NN1
InChIInChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-10-14-13-9(15)6-16-10/h1-5H,6H2,(H,13,15)
InChIKeyRBXHBMHNPPXNGK-UHFFFAOYSA-N
XLogP1.38
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one (CID 676682) is 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one is O=C1CSC(N=Cc2ccc(F)cc2)=NN1.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
The InChIKey is RBXHBMHNPPXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-10-14-13-9(15)6-16-10/h1-5H,6H2,(H,13,15).
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one?
2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one has a molecular weight of 237.26 g/mol, XLogP of 1.38, 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]-4H-1,3,4-thiadiazin-5-one is sourced from PubChem (CID 676682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).