5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one

C9H8FN3OS — CID 66888988

IUPAC5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one
SMILESNc1nc(=O)n(Cc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3OS/c10-7-3-1-6(2-4-7)5-13-9(14)12-8(11)15-13/h1-4H,5H2,(H2,11,12,14)
InChIKeyZGZRUJMHVSASJG-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.07
Rot. Bonds2

About 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one

5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one (PubChem CID 66888988) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one.

Molecular Properties

Compound Name5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one
PubChem CID66888988
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one
SMILESNc1nc(=O)n(Cc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3OS/c10-7-3-1-6(2-4-7)5-13-9(14)12-8(11)15-13/h1-4H,5H2,(H2,11,12,14)
InChIKeyZGZRUJMHVSASJG-UHFFFAOYSA-N
XLogP1.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one?
The IUPAC name of 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one (CID 66888988) is 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one.
What is the SMILES notation for 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one?
The canonical SMILES for 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one is Nc1nc(=O)n(Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one?
The InChIKey is ZGZRUJMHVSASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-7-3-1-6(2-4-7)5-13-9(14)12-8(11)15-13/h1-4H,5H2,(H2,11,12,14).
What are the key properties of 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one?
5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one has a molecular weight of 225.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-3-one is sourced from PubChem (CID 66888988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).