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

C10H9FN2OS — CID 64769407

IUPAC3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
SMILESNc1cc(F)ccc1Cn1ccsc1=O
InChIInChI=1S/C10H9FN2OS/c11-8-2-1-7(9(12)5-8)6-13-3-4-15-10(13)14/h1-5H,6,12H2
InChIKeyIZCNNMKFFGAVDQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.68
Rot. Bonds2

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

3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one (PubChem CID 64769407) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
PubChem CID64769407
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
SMILESNc1cc(F)ccc1Cn1ccsc1=O
InChIInChI=1S/C10H9FN2OS/c11-8-2-1-7(9(12)5-8)6-13-3-4-15-10(13)14/h1-5H,6,12H2
InChIKeyIZCNNMKFFGAVDQ-UHFFFAOYSA-N
XLogP1.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one (CID 64769407) is 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one is Nc1cc(F)ccc1Cn1ccsc1=O.
What is the InChIKey of 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one?
The InChIKey is IZCNNMKFFGAVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-8-2-1-7(9(12)5-8)6-13-3-4-15-10(13)14/h1-5H,6,12H2.
What are the key properties of 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one?
3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 64769407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).