5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one

C12H12N2O2S — CID 2919289

IUPAC5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one
SMILESCC(=O)c1ccc(CC2SC(N)=NC2=O)cc1
InChIInChI=1S/C12H12N2O2S/c1-7(15)9-4-2-8(3-5-9)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16)
InChIKeyJIHCAPFXUWZIBG-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.39
Rot. Bonds3

About 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one

5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one (PubChem CID 2919289) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one
PubChem CID2919289
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one
SMILESCC(=O)c1ccc(CC2SC(N)=NC2=O)cc1
InChIInChI=1S/C12H12N2O2S/c1-7(15)9-4-2-8(3-5-9)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16)
InChIKeyJIHCAPFXUWZIBG-UHFFFAOYSA-N
XLogP1.39
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 6624464
5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one
CID 603005
1-(4-Ethylphenyl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethanone
CID 135433170
2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
2-Amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
CID 2841517
2-((4-Hydroxy-6-methylpyrimidin-2-yl)thio)-1-phenylethanone
CID 135412194
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-1-(3,4-dimethyl-phenyl)-ethanone
CID 135460846
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-1-(4-ethyl-phenyl)-ethanone
CID 135464596
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-1-(2,5-dimethyl-phenyl)-ethanone
CID 135464597
5-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one
CID 247102
2-[(4-Hydroxy-6-methyl-2-pyrimidinyl)thio]-1-(4-methylphenyl)ethanone
CID 135495494

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one?
The IUPAC name of 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one (CID 2919289) is 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one?
The canonical SMILES for 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one is CC(=O)c1ccc(CC2SC(N)=NC2=O)cc1.
What is the InChIKey of 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one?
The InChIKey is JIHCAPFXUWZIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7(15)9-4-2-8(3-5-9)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16).
What are the key properties of 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one?
5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one has a molecular weight of 248.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenyl)methyl]-2-amino-1,3-thiazol-4-one is sourced from PubChem (CID 2919289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).