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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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9462235
4-(4-aminophenyl)-3H-1,3-thiazol-2-one
CID 14774292
4-(3-aminophenyl)-3H-1,3-thiazol-2-one
CID 39129690
N-[4-fluoro-2-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]-3-sulfanylpropanamide
CID 177681379
2-(2-Aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 24715708
2-(2-Aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
CID 24715718
2-(2-Aminophenyl)-3-(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 24716021
N-[2-(trifluoromethyl)phenyl]-2H-1,3-thiazole-3-carboxamide
CID 22474600
N-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazole-3-carboxamide
CID 22474606
4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]-3H-1,3-thiazol-2-one
CID 68119705
4-(3-Aminophenyl)-3-(4,4-difluorobut-3-enyl)-1,3-thiazol-2-one
CID 85878524
methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate
CID 174534001

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).