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

C11H11FN2OS — CID 64769209

IUPAC3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1ccc(F)cc1N
InChIInChI=1S/C11H11FN2OS/c1-7-6-16-11(15)14(7)5-8-2-3-9(12)4-10(8)13/h2-4,6H,5,13H2,1H3
InChIKeyJADFIKMEKUWQEX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.99
Rot. Bonds2

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

3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 64769209) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID64769209
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1ccc(F)cc1N
InChIInChI=1S/C11H11FN2OS/c1-7-6-16-11(15)14(7)5-8-2-3-9(12)4-10(8)13/h2-4,6H,5,13H2,1H3
InChIKeyJADFIKMEKUWQEX-UHFFFAOYSA-N
XLogP1.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.99
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-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 64769407
2-[(2-amino-4-fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 64768629
3-[(2-amino-4-fluorophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308999
3-[(2-amino-4-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 64770001
3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024519
1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 64768035
3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
CID 64768228
3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 62209410
2-[(4,5-dimethylimidazol-1-yl)methyl]-5-fluoroaniline
CID 64768036
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
CID 19986378

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one (CID 64769209) is 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1Cc1ccc(F)cc1N.
What is the InChIKey of 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is JADFIKMEKUWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7-6-16-11(15)14(7)5-8-2-3-9(12)4-10(8)13/h2-4,6H,5,13H2,1H3.
What are the key properties of 3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 238.29 g/mol, XLogP of 1.99, 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]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 64769209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).