2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

C12H12N2O2S — CID 146674629

IUPAC2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(CC(=O)c2ccc(C)cc2)S1
InChIInChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)9(15)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16)
InChIKeyKOXDYSVAKRHPQT-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.73
Rot. Bonds3

About 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one

2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 146674629) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID146674629
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(CC(=O)c2ccc(C)cc2)S1
InChIInChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)9(15)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16)
InChIKeyKOXDYSVAKRHPQT-UHFFFAOYSA-N
XLogP1.73
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-5-phenacyl-1,3-thiazolidin-4-one
CID 138978177
2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 5023549
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 166435878
N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 175905532
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183
4-[[5-[2-(4-methylphenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 135706948
5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 172707194
methyl 2-[[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 140511252
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 138376642
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 86261442
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 154776623

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 146674629) is 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(CC(=O)c2ccc(C)cc2)S1.
What is the InChIKey of 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is KOXDYSVAKRHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)9(15)6-10-11(16)14-12(13)17-10/h2-5,10H,6H2,1H3,(H2,13,14,16).
What are the key properties of 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 146674629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).