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

C11H10N2O2S — CID 135476892

IUPAC2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one
SMILESCC(=O)c1cccc(/N=C2/NC(=O)CS2)c1
InChIInChI=1S/C11H10N2O2S/c1-7(14)8-3-2-4-9(5-8)12-11-13-10(15)6-16-11/h2-5H,6H2,1H3,(H,12,13,15)
InChIKeyBLTBDONUBAYVQZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.74
Rot. Bonds2

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

2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135476892) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135476892
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one
SMILESCC(=O)c1cccc(/N=C2/NC(=O)CS2)c1
InChIInChI=1S/C11H10N2O2S/c1-7(14)8-3-2-4-9(5-8)12-11-13-10(15)6-16-11/h2-5H,6H2,1H3,(H,12,13,15)
InChIKeyBLTBDONUBAYVQZ-UHFFFAOYSA-N
XLogP1.74
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
1-{4-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl}ethanone
CID 3795859
6-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3-dihydroindol-2-one
CID 136086921

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one (CID 135476892) is 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one is CC(=O)c1cccc(/N=C2/NC(=O)CS2)c1.
What is the InChIKey of 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is BLTBDONUBAYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7(14)8-3-2-4-9(5-8)12-11-13-10(15)6-16-11/h2-5H,6H2,1H3,(H,12,13,15).
What are the key properties of 2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one?
2-(3-acetylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.74, 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-1,3-thiazolidin-4-one is sourced from PubChem (CID 135476892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).