2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one

C12H12N2O2S — CID 135523654

IUPAC2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC(=O)c1cccc(/N=C2/NC(=O)C(C)S2)c1
InChIInChI=1S/C12H12N2O2S/c1-7(15)9-4-3-5-10(6-9)13-12-14-11(16)8(2)17-12/h3-6,8H,1-2H3,(H,13,14,16)
InChIKeyLJQBNKQCSJSWCL-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.13
Rot. Bonds2

About 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one

2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135523654) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135523654
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC(=O)c1cccc(/N=C2/NC(=O)C(C)S2)c1
InChIInChI=1S/C12H12N2O2S/c1-7(15)9-4-3-5-10(6-9)13-12-14-11(16)8(2)17-12/h3-6,8H,1-2H3,(H,13,14,16)
InChIKeyLJQBNKQCSJSWCL-UHFFFAOYSA-N
XLogP2.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-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

2-m-Tolylamino-thiazol-4-one
CID 135415496
N-(5-Methyl-4,5-dihydro-thiazol-2-yl)-3-nitro-benzamide
CID 24747061
N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
CID 135444990
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
2-(m-toluidino)-5-ethylthiazol-4(5H)-one
CID 135442744
N-(4-Acetyl-phenyl)-2-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 2938655
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861
1-{3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl}ethanone
CID 3612852
N-[4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 135446479
2-[(3-acetylphenyl)amino]-5,5-bis(hydroxymethyl)-1,3-thiazol-4(5H)-one
CID 135449591
2-[(3-acetylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135476892
N-(5-methyl-4,5-dihydrothiazol-2-yl)-3-nitrobenzamide
CID 621982

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 135523654) is 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one is CC(=O)c1cccc(/N=C2/NC(=O)C(C)S2)c1.
What is the InChIKey of 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is LJQBNKQCSJSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7(15)9-4-3-5-10(6-9)13-12-14-11(16)8(2)17-12/h3-6,8H,1-2H3,(H,13,14,16).
What are the key properties of 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).