2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide

C19H14N4O4S — CID 4082312

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C19H14N4O4S/c24-15(10-22-17(26)13-8-4-5-9-14(13)18(22)27)21-23-16(25)11-28-19(23)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,24)/b20-19-
InChIKeyQYAYYMVDTWZDSV-VXPUYCOJSA-N
MW394.41 g/mol
LogP1.58
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide (PubChem CID 4082312) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide
PubChem CID4082312
Molecular FormulaC19H14N4O4S
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C19H14N4O4S/c24-15(10-22-17(26)13-8-4-5-9-14(13)18(22)27)21-23-16(25)11-28-19(23)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,24)/b20-19-
InChIKeyQYAYYMVDTWZDSV-VXPUYCOJSA-N
XLogP1.58
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide (CID 4082312) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS/C1=N\c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is QYAYYMVDTWZDSV-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H14N4O4S/c24-15(10-22-17(26)13-8-4-5-9-14(13)18(22)27)21-23-16(25)11-28-19(23)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,24)/b20-19-.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 4082312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).