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

C12H14N2O2S — CID 43287026

IUPAC3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCOc1ccc(Cn2c(C)csc2=O)cc1N
InChIInChI=1S/C12H14N2O2S/c1-8-7-17-12(15)14(8)6-9-3-4-11(16-2)10(13)5-9/h3-5,7H,6,13H2,1-2H3
InChIKeyOGFVSWSWXCPTGH-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.86
Rot. Bonds3

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

3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43287026) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43287026
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCOc1ccc(Cn2c(C)csc2=O)cc1N
InChIInChI=1S/C12H14N2O2S/c1-8-7-17-12(15)14(8)6-9-3-4-11(16-2)10(13)5-9/h3-5,7H,6,13H2,1-2H3
InChIKeyOGFVSWSWXCPTGH-UHFFFAOYSA-N
XLogP1.86
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-4-methoxyphenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308369
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18097985
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 55050806
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933
3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one
CID 92936578
1-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridin-2-one
CID 28510606
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
3-[(2-amino-7-methoxyquinolin-3-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 62209410
methyl 2-amino-6-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]benzoate
CID 104824928
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
5-(fluoromethyl)-2-methoxyaniline
CID 84650155

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one (CID 43287026) is 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one is COc1ccc(Cn2c(C)csc2=O)cc1N.
What is the InChIKey of 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is OGFVSWSWXCPTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8-7-17-12(15)14(8)6-9-3-4-11(16-2)10(13)5-9/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 250.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43287026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).