3-acetyl-2-phenylimino-1,3-thiazolidin-4-one

C11H10N2O2S — CID 23261168

IUPAC3-acetyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(=O)N1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C11H10N2O2S/c1-8(14)13-10(15)7-16-11(13)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-11-
InChIKeyJZADMDKJVWSKPR-QXMHVHEDSA-N
MW234.28 g/mol
LogP1.80
Rot. Bonds1

About 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one

3-acetyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 23261168) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-acetyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID23261168
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-acetyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(=O)N1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C11H10N2O2S/c1-8(14)13-10(15)7-16-11(13)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-11-
InChIKeyJZADMDKJVWSKPR-QXMHVHEDSA-N
XLogP1.80
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one (CID 23261168) is 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one is CC(=O)N1C(=O)CS/C1=N\c1ccccc1.
What is the InChIKey of 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is JZADMDKJVWSKPR-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8(14)13-10(15)7-16-11(13)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-11-.
What are the key properties of 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one?
3-acetyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 23261168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).