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

C11H10FN3OS — CID 676883

IUPAC(6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
SMILESC[C@@H]1SC(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)/t7-/m0/s1
InChIKeyIVBPXCWJBZOIEH-ZETCQYMHSA-N
MW251.29 g/mol
LogP1.77
Rot. Bonds1

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

(6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one (PubChem CID 676883) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one.

Molecular Properties

Compound Name(6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
PubChem CID676883
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name(6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
SMILESC[C@@H]1SC(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)/t7-/m0/s1
InChIKeyIVBPXCWJBZOIEH-ZETCQYMHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
The IUPAC name of (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one (CID 676883) is (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one.
What is the SMILES notation for (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
The canonical SMILES for (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one is C[C@@H]1SC(N=Cc2ccc(F)cc2)=NNC1=O.
What is the InChIKey of (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
The InChIKey is IVBPXCWJBZOIEH-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one?
(6S)-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 (6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one is sourced from PubChem (CID 676883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).